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

Systemtic Name: 2-(dimethylamino)-6-methyl-4-(3-nitrophenyl)-3-(phenylsulfonyl)-3,4-dihydropyridine-5-carboxylic acid Openeye Name: 3-(benzenesulfonyl)-2-(dimethylamino)-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-5-carboxylic acid CAS Name: 3-(benzenesulfonyl)-2-(dimethylamino)-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-5-carboxylic acid IUPAC Name: 3-(benzenesulfonyl)-2-(dimethylamino)-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-5-carboxylic acid Traditional Name: 3-besyl-2-(dimethylamino)-6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-5-carboxylic acid Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6S/c1-13-17(21(25)26)18(14-8-7-9-15(12-14)24(27)28)19(20(22-13)23(2)3)31(29,30)16-10-5-4-6-11-16/h4-12,18-19H,1-3H3,(H,25,26)