4-(2-chlorophenyl)-5-ethylsulfonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 4-(2-chlorophenyl)-5-ethylsulfonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(2-chlorophenyl)-5-ethylsulfonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(2-chlorophenyl)-5-ethylsulfonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(2-chlorophenyl)-5-ethylsulfonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(2-chlorophenyl)-5-esyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C16H18ClNO4S MolecularWeight: 355.83642

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)O)C)C

Isomeric SMILES

CCS(=O)(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)O)C)C

InChI

InChI=1S/C16H18ClNO4S/c1-4-23(21,22)15-10(3)18-9(2)13(16(19)20)14(15)11-7-5-6-8-12(11)17/h5-8,14,18H,4H2,1-3H3,(H,19,20)