2,6-dimethyl-4-(2-nitrophenyl)-5-propan-2-ylsulfonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(2-nitrophenyl)-5-propan-2-ylsulfonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-isopropylsulfonyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-5-propan-2-ylsulfonyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(2-nitrophenyl)-5-propan-2-ylsulfonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-isopropylsulfonyl-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C17H20N2O6S MolecularWeight: 380.4155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6S/c1-9(2)26(24,25)16-11(4)18-10(3)14(17(20)21)15(16)12-7-5-6-8-13(12)19(22)23/h5-9,15,18H,1-4H3,(H,20,21)