methyl 4-[[(3-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]methyl]benzoate Openeye Name: methyl 4-[[N-(benzenesulfonyl)-3-chloro-2-methyl-anilino]methyl]benzoate CAS Name: 4-[[N-(benzenesulfonyl)-3-chloro-2-methylanilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[N-(benzenesulfonyl)-3-chloro-2-methylanilino]methyl]benzoate Traditional Name: 4-[(N-besyl-3-chloro-2-methyl-anilino)methyl]benzoic acid methyl ester Formula: C22H20ClNO4S MolecularWeight: 429.9165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N(CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

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