Name: Name:2-(benzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Brand: Angene
SKU: AG00H9DL
Rating: 90 (10 reviews)

2-(benzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

CAS No.:

1009266-12-9

Catalog Number:

AG00H9DL

Molecular Formula:

C16H15NO4S

Molecular Weight:

317.3596

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Purity

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Product Description

Catalog Number:

AG00H9DL

Chemical Name:

2-(benzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

CAS Number:

1009266-12-9

Molecular Formula:

C16H15NO4S

Molecular Weight:

317.3596

MDL Number:

MFCD06654956

IUPAC Name:

2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

InChI:

InChI=1S/C16H15NO4S/c18-16(19)15-10-12-6-4-5-7-13(12)11-17(15)22(20,21)14-8-2-1-3-9-14/h1-9,15H,10-11H2,(H,18,19)

InChI Key:

YBNFARCMGBPBOI-UHFFFAOYSA-N

SMILES:

OC(=O)C1Cc2ccccc2CN1S(=O)(=O)c1ccccc1

Properties

Complexity:

507

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

317.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.359g/mol

Monoisotopic Mass:

317.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501