2-[2-[(4-chloranyl-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[(4-chloranyl-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[4-chloro-2-methyl-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzoic acid CAS Name: 2-[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(4-chloro-2-methyl-N-tosyl-anilino)acetyl]amino]benzoic acid Formula: C23H21ClN2O5S MolecularWeight: 472.94124

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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=C(C=C(C=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O5S/c1-15-7-10-18(11-8-15)32(30,31)26(21-12-9-17(24)13-16(21)2)14-22(27)25-20-6-4-3-5-19(20)23(28)29/h3-13H,14H2,1-2H3,(H,25,27)(H,28,29)