5-[(6-ethoxy-6-oxidanylidene-hexyl)-methyl-sulfamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-[(6-ethoxy-6-oxidanylidene-hexyl)-methyl-sulfamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-[(6-ethoxy-6-oxo-hexyl)-methyl-sulfamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[(6-ethoxy-6-oxohexyl)-methylsulfamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-[(6-ethoxy-6-oxohexyl)-methylsulfamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-[(6-ethoxy-6-keto-hexyl)-methyl-sulfamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C23H31N3O8S MolecularWeight: 509.57254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN(C)S(=O)(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)C

Isomeric SMILES

CCOC(=O)CCCCCN(C)S(=O)(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)C

InChI

InChI=1S/C23H31N3O8S/c1-5-34-19(27)12-7-6-8-13-25(4)35(32,33)22-16(3)24-15(2)20(23(28)29)21(22)17-10-9-11-18(14-17)26(30)31/h9-11,14,21,24H,5-8,12-13H2,1-4H3,(H,28,29)