2,6-dimethyl-4-(3-nitrophenyl)-5-[2-(propan-2-ylsulfamoyl)propanoyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[2-(propan-2-ylsulfamoyl)propanoyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-[2-(isopropylsulfamoyl)propanoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[1-oxo-2-(propan-2-ylsulfamoyl)propyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(3-nitrophenyl)-5-[2-(propan-2-ylsulfamoyl)propanoyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-[2-(isopropylsulfamoyl)propanoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C20H25N3O7S MolecularWeight: 451.4934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O7S/c1-10(2)22-31(29,30)13(5)19(24)16-11(3)21-12(4)17(20(25)26)18(16)14-7-6-8-15(9-14)23(27)28/h6-10,13,18,21-22H,1-5H3,(H,25,26)