Name: Name:1H-Indole-2-carboxylic acid, 3-methyl-1-(phenylsulfonyl)-, methyl ester
Brand: Angene
SKU: AG002A70
Rating: 90 (10 reviews)

1H-Indole-2-carboxylic acid, 3-methyl-1-(phenylsulfonyl)-, methyl ester

CAS No.:

2055840-89-4

Catalog Number:

AG002A70

Molecular Formula:

C17H15NO4S

Molecular Weight:

329.3703

Catalog Number:

AG002A70

Chemical Name:

1H-Indole-2-carboxylic acid, 3-methyl-1-(phenylsulfonyl)-, methyl ester

CAS Number:

2055840-89-4

Molecular Formula:

C17H15NO4S

Molecular Weight:

329.3703

MDL Number:

MFCD30531333

IUPAC Name:

methyl 1-(benzenesulfonyl)-3-methylindole-2-carboxylate

InChI:

InChI=1S/C17H15NO4S/c1-12-14-10-6-7-11-15(14)18(16(12)17(19)22-2)23(20,21)13-8-4-3-5-9-13/h3-11H,1-2H3

InChI Key:

BPTNIHOWFSLUJJ-UHFFFAOYSA-N

SMILES:

COC(=O)c1c(C)c2c(n1S(=O)(=O)c1ccccc1)cccc2

Complexity:

535

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

329.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

329.37g/mol

Monoisotopic Mass:

329.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8