4-[[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]methyl]benzoate

Systemtic Name: 4-[[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]methyl]benzoate Openeye Name: 4-[[3-chloro-N-(p-tolylsulfonyl)anilino]methyl]benzoate CAS Name: 4-[(3-chloro-N-(4-methylphenyl)sulfonylanilino)methyl]benzoate IUPAC Name: 4-[(3-chloro-N-(4-methylphenyl)sulfonylanilino)methyl]benzoate Traditional Name: 4-[(3-chloro-N-tosyl-anilino)methyl]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)C(=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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