6-azanyl-2-(dimethylamino)-4-(2-methylphenyl)-5-methylsulfonyl-3,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-azanyl-2-(dimethylamino)-4-(2-methylphenyl)-5-methylsulfonyl-3,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-amino-2-(dimethylamino)-5-methylsulfonyl-4-(o-tolyl)-3,4-dihydropyridine-3-carboxylic acid CAS Name: 6-amino-2-(dimethylamino)-4-(2-methylphenyl)-5-methylsulfonyl-3,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-amino-2-(dimethylamino)-4-(2-methylphenyl)-5-methylsulfonyl-3,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-amino-2-(dimethylamino)-5-mesyl-4-(o-tolyl)-3,4-dihydropyridine-3-carboxylic acid Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(C(=NC(=C2S(=O)(=O)C)N)N(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2C(C(=NC(=C2S(=O)(=O)C)N)N(C)C)C(=O)O

InChI

InChI=1S/C16H21N3O4S/c1-9-7-5-6-8-10(9)11-12(16(20)21)15(19(2)3)18-14(17)13(11)24(4,22)23/h5-8,11-12H,17H2,1-4H3,(H,20,21)