2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: 2-[(4-chlorophenyl)methyl-(p-tolylsulfonyl)amino]benzoate CAS Name: 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate IUPAC Name: 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-chlorobenzyl)-tosyl-amino]benzoate Formula: C21H17ClNO4S- MolecularWeight: 414.88198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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