3-methyl-4-[[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[4-[methyl(p-tolylsulfonyl)amino]benzoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[4-[methyl(tosyl)amino]benzoyl]amino]benzoic acid Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C23H22N2O5S/c1-15-4-11-20(12-5-15)31(29,30)25(3)19-9-6-17(7-10-19)22(26)24-21-13-8-18(23(27)28)14-16(21)2/h4-14H,1-3H3,(H,24,26)(H,27,28)