Name: Name:4-(4-[(4-Methylphenyl)sulfonyl]piperazin-1-yl)-4-oxobutanoic acid
Brand: Angene
SKU: AG00ICF5
Rating: 90 (10 reviews)

4-(4-[(4-Methylphenyl)sulfonyl]piperazin-1-yl)-4-oxobutanoic acid

CAS No.:

736146-17-1

Catalog Number:

AG00ICF5

Molecular Formula:

C15H20N2O5S

Molecular Weight:

340.3947

Catalog Number:

AG00ICF5

Chemical Name:

4-(4-[(4-Methylphenyl)sulfonyl]piperazin-1-yl)-4-oxobutanoic acid

CAS Number:

736146-17-1

Molecular Formula:

C15H20N2O5S

Molecular Weight:

340.3947

MDL Number:

MFCD03989646

IUPAC Name:

4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid

InChI:

InChI=1S/C15H20N2O5S/c1-12-2-4-13(5-3-12)23(21,22)17-10-8-16(9-11-17)14(18)6-7-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)

InChI Key:

BEKZSJOPYQGNLS-UHFFFAOYSA-N

SMILES:

O=C(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C)CCC(=O)O

Complexity:

527

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

340.109g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

340.394g/mol

Monoisotopic Mass:

340.109g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1