6-azanyl-5-methylsulfonyl-4-(2-nitrophenyl)-2-pyrrolidin-1-yl-3,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-azanyl-5-methylsulfonyl-4-(2-nitrophenyl)-2-pyrrolidin-1-yl-3,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-amino-5-methylsulfonyl-4-(2-nitrophenyl)-2-pyrrolidin-1-yl-3,4-dihydropyridine-3-carboxylic acid CAS Name: 6-amino-5-methylsulfonyl-4-(2-nitrophenyl)-2-(1-pyrrolidinyl)-3,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-amino-5-methylsulfonyl-4-(2-nitrophenyl)-2-pyrrolidin-1-yl-3,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-amino-5-mesyl-4-(2-nitrophenyl)-2-pyrrolidino-3,4-dihydropyridine-3-carboxylic acid Formula: C17H20N4O6S MolecularWeight: 408.4289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N=C(C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)O)N3CCCC3)N

Isomeric SMILES

CS(=O)(=O)C1=C(N=C(C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)O)N3CCCC3)N

InChI

InChI=1S/C17H20N4O6S/c1-28(26,27)14-12(10-6-2-3-7-11(10)21(24)25)13(17(22)23)16(19-15(14)18)20-8-4-5-9-20/h2-3,6-7,12-13H,4-5,8-9,18H2,1H3,(H,22,23)