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

Systemtic Name: 2-[2-[(3-methylphenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[3-methyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoic acid CAS Name: 2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(3-methyl-N-tosyl-anilino)acetyl]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(CC(=O)NC2=CC=CC=C2C(=O)O)C3=CC=CC(=C3)C

Isomeric SMILES

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

InChI

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