4-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoic acid

Systemtic Name: 4-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoic acid Openeye Name: 4-[2-(N-methylsulfonylanilino)butanoylamino]benzoic acid CAS Name: 4-[[2-(N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-(N-methylsulfonylanilino)butanoylamino]benzoic acid Traditional Name: 4-[2-(N-mesylanilino)butanoylamino]benzoic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)N(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)N(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C18H20N2O5S/c1-3-16(20(26(2,24)25)15-7-5-4-6-8-15)17(21)19-14-11-9-13(10-12-14)18(22)23/h4-12,16H,3H2,1-2H3,(H,19,21)(H,22,23)