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

Systemtic Name: 4-(2-chlorophenyl)-2,6-dimethyl-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(benzenesulfonyl)-4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-(benzenesulfonyl)-4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(benzenesulfonyl)-4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-besyl-4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C20H18ClNO4S/c1-12-17(20(23)24)18(15-10-6-7-11-16(15)21)19(13(2)22-12)27(25,26)14-8-4-3-5-9-14/h3-11,18,22H,1-2H3,(H,23,24)