Name: Name:4-[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid
Brand: Angene
SKU: AG01A0OC
Rating: 90 (10 reviews)

4-[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid

CAS No.:

893725-62-7

Catalog Number:

AG01A0OC

Molecular Formula:

C15H20N2O6S

Molecular Weight:

356.3941

Catalog Number:

AG01A0OC

Chemical Name:

4-[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid

CAS Number:

893725-62-7

Molecular Formula:

C15H20N2O6S

Molecular Weight:

356.3941

MDL Number:

MFCD05862858

IUPAC Name:

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

InChI:

InChI=1S/C15H20N2O6S/c1-23-12-2-4-13(5-3-12)24(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:

ABCDJDYPJYKEMH-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)CCC(=O)O

Complexity:

543

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

356.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

356.393g/mol

Monoisotopic Mass:

356.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3