5-[2-(but-3-enylsulfamoyl)ethanoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-[2-(but-3-enylsulfamoyl)ethanoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-[2-(but-3-enylsulfamoyl)acetyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[2-(but-3-enylsulfamoyl)-1-oxoethyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-[2-(but-3-enylsulfamoyl)acetyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-[2-(but-3-enylsulfamoyl)acetyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C20H23N3O7S MolecularWeight: 449.47752

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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)CS(=O)(=O)NCCC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-4-5-9-21-31(29,30)11-16(24)17-12(2)22-13(3)18(20(25)26)19(17)14-7-6-8-15(10-14)23(27)28/h4,6-8,10,19,21-22H,1,5,9,11H2,2-3H3,(H,25,26)