3-[2-[(3,4-dimethylphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[(3,4-dimethylphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[N-(benzenesulfonyl)-3,4-dimethyl-anilino]acetyl]amino]benzoic acid CAS Name: 3-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]amino]benzoic acid Traditional Name: 3-[[2-(N-besyl-3,4-dimethyl-anilino)acetyl]amino]benzoic acid Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H22N2O5S/c1-16-11-12-20(13-17(16)2)25(31(29,30)21-9-4-3-5-10-21)15-22(26)24-19-8-6-7-18(14-19)23(27)28/h3-14H,15H2,1-2H3,(H,24,26)(H,27,28)