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

Systemtic Name: 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]benzoic acid Openeye Name: 2-[(3-chlorophenyl)methyl-(p-tolylsulfonyl)amino]benzoic acid CAS Name: 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[(3-chlorobenzyl)-tosyl-amino]benzoic acid Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)Cl)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC(=CC=C2)Cl)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H18ClNO4S/c1-15-9-11-18(12-10-15)28(26,27)23(14-16-5-4-6-17(22)13-16)20-8-3-2-7-19(20)21(24)25/h2-13H,14H2,1H3,(H,24,25)