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

Systemtic Name: methyl 4-[[(3-chlorophenyl)-(4-methylphenyl)sulfonyl-amino]methyl]benzoate Openeye Name: methyl 4-[[3-chloro-N-(p-tolylsulfonyl)anilino]methyl]benzoate CAS Name: 4-[(3-chloro-N-(4-methylphenyl)sulfonylanilino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-N-(4-methylphenyl)sulfonylanilino)methyl]benzoate Traditional Name: 4-[(3-chloro-N-tosyl-anilino)methyl]benzoic acid methyl ester Formula: C22H20ClNO4S MolecularWeight: 429.9165

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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)OC)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO4S/c1-16-6-12-21(13-7-16)29(26,27)24(20-5-3-4-19(23)14-20)15-17-8-10-18(11-9-17)22(25)28-2/h3-14H,15H2,1-2H3