2-[2-[(2-methoxy-5-methyl-phenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(2-methoxy-5-methyl-phenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[N-(benzenesulfonyl)-2-methoxy-5-methyl-anilino]acetyl]amino]benzoic acid CAS Name: 2-[[2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetyl]amino]benzoic acid Traditional Name: 2-[[2-(N-besyl-2-methoxy-5-methyl-anilino)acetyl]amino]benzoic acid Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N(CC(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O6S/c1-16-12-13-21(31-2)20(14-16)25(32(29,30)17-8-4-3-5-9-17)15-22(26)24-19-11-7-6-10-18(19)23(27)28/h3-14H,15H2,1-2H3,(H,24,26)(H,27,28)