2-(acetyloxymethyl)-4-(2-chlorophenyl)-6-methyl-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-(acetyloxymethyl)-4-(2-chlorophenyl)-6-methyl-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-(acetoxymethyl)-5-(benzenesulfonyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-(acetyloxymethyl)-5-(benzenesulfonyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-(acetyloxymethyl)-5-(benzenesulfonyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-(acetoxymethyl)-5-besyl-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid Formula: C22H20ClNO6S MolecularWeight: 461.9153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)COC(=O)C)C(=O)O)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)COC(=O)C)C(=O)O)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20ClNO6S/c1-13-21(31(28,29)15-8-4-3-5-9-15)19(16-10-6-7-11-17(16)23)20(22(26)27)18(24-13)12-30-14(2)25/h3-11,19,24H,12H2,1-2H3,(H,26,27)