6-azanyl-2-(dimethylamino)-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-azanyl-2-(dimethylamino)-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-amino-2-(dimethylamino)-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid CAS Name: 6-amino-2-(dimethylamino)-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-amino-2-(dimethylamino)-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-amino-2-(dimethylamino)-5-mesyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid Formula: C16H18F3N3O4S MolecularWeight: 405.39203

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=C(C(C1C(=O)O)C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C)N

Isomeric SMILES

CN(C)C1=NC(=C(C(C1C(=O)O)C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C)N

InChI

InChI=1S/C16H18F3N3O4S/c1-22(2)14-11(15(23)24)10(12(13(20)21-14)27(3,25)26)8-6-4-5-7-9(8)16(17,18)19/h4-7,10-11H,20H2,1-3H3,(H,23,24)