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

Systemtic Name: 2-[2-[(3,4-dimethylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[3,4-dimethyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoic acid CAS Name: 2-[[2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(3,4-dimethyl-N-tosyl-anilino)acetyl]amino]benzoic acid Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O5S/c1-16-8-12-20(13-9-16)32(30,31)26(19-11-10-17(2)18(3)14-19)15-23(27)25-22-7-5-4-6-21(22)24(28)29/h4-14H,15H2,1-3H3,(H,25,27)(H,28,29)