2-azanyl-6-methyl-5-(2-methylpropylsulfonyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-azanyl-6-methyl-5-(2-methylpropylsulfonyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-amino-5-isobutylsulfonyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-amino-6-methyl-5-(2-methylpropylsulfonyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-amino-6-methyl-5-(2-methylpropylsulfonyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-amino-5-isobutylsulfonyl-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6S/c1-9(2)8-27(25,26)15-10(3)19-16(18)14(17(21)22)13(15)11-6-4-5-7-12(11)20(23)24/h4-7,9,13,19H,8,18H2,1-3H3,(H,21,22)