6-methyl-2-(methylsulfanylmethyl)-4-(3-nitrophenyl)-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-methyl-2-(methylsulfanylmethyl)-4-(3-nitrophenyl)-5-(phenylsulfonyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(benzenesulfonyl)-6-methyl-2-(methylsulfanylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-(benzenesulfonyl)-6-methyl-2-[(methylthio)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(benzenesulfonyl)-6-methyl-2-(methylsulfanylmethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-besyl-6-methyl-2-[(methylthio)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CSC)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(=C(N1)CSC)C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O6S2/c1-13-20(31(28,29)16-9-4-3-5-10-16)18(14-7-6-8-15(11-14)23(26)27)19(21(24)25)17(22-13)12-30-2/h3-11,18,22H,12H2,1-2H3,(H,24,25)