6-azanyl-5-methylsulfonyl-2-pyrrolidin-1-yl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-azanyl-5-methylsulfonyl-2-pyrrolidin-1-yl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-amino-5-methylsulfonyl-2-pyrrolidin-1-yl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid CAS Name: 6-amino-5-methylsulfonyl-2-(1-pyrrolidinyl)-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-amino-5-methylsulfonyl-2-pyrrolidin-1-yl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-amino-5-mesyl-2-pyrrolidino-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid Formula: C18H20F3N3O4S MolecularWeight: 431.42931

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N=C(C(C1C2=CC=CC=C2C(F)(F)F)C(=O)O)N3CCCC3)N

Isomeric SMILES

CS(=O)(=O)C1=C(N=C(C(C1C2=CC=CC=C2C(F)(F)F)C(=O)O)N3CCCC3)N

InChI

InChI=1S/C18H20F3N3O4S/c1-29(27,28)14-12(10-6-2-3-7-11(10)18(19,20)21)13(17(25)26)16(23-15(14)22)24-8-4-5-9-24/h2-3,6-7,12-13H,4-5,8-9,22H2,1H3,(H,25,26)