ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-(phenylsulfonylmethyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-5-cyano-6-methyl-2-(phenylsulfonylmethyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(benzenesulfonylmethyl)-4-(2-chlorophenyl)-5-cyano-6-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 2-(benzenesulfonylmethyl)-4-(2-chlorophenyl)-5-cyano-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonylmethyl)-4-(2-chlorophenyl)-5-cyano-6-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-(besylmethyl)-4-(2-chlorophenyl)-5-cyano-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)C)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C#N)C)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21ClN2O4S/c1-3-30-23(27)22-20(14-31(28,29)16-9-5-4-6-10-16)26-15(2)18(13-25)21(22)17-11-7-8-12-19(17)24/h4-12,21,26H,3,14H2,1-2H3