4-[2-[(4-chlorophenyl)sulfonyl-(phenylmethyl)amino]ethanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[2-[(4-chlorophenyl)sulfonyl-(phenylmethyl)amino]ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-[benzyl-(4-chlorophenyl)sulfonyl-amino]acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[(4-chlorophenyl)sulfonyl-(phenylmethyl)amino]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-[benzyl-(4-chlorophenyl)sulfonyl-amino]acetyl]amino]-3-methyl-benzoic acid Formula: C23H21ClN2O5S MolecularWeight: 472.94124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CN(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H21ClN2O5S/c1-16-13-18(23(28)29)7-12-21(16)25-22(27)15-26(14-17-5-3-2-4-6-17)32(30,31)20-10-8-19(24)9-11-20/h2-13H,14-15H2,1H3,(H,25,27)(H,28,29)