4-[2-azanyl-3-cyano-4-(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]benzenesulfonamide

Systemtic Name: 4-[2-azanyl-3-cyano-4-(3-nitrophenyl)-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]benzenesulfonamide Openeye Name: 4-[2-amino-3-cyano-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]benzenesulfonamide CAS Name: 4-[2-amino-3-cyano-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]benzenesulfonamide IUPAC Name: 4-[2-amino-3-cyano-4-(3-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]benzenesulfonamide Traditional Name: 4-[2-amino-3-cyano-5-keto-4-(3-nitrophenyl)-4,6,7,8-tetrahydroquinolin-1-yl]benzenesulfonamide Formula: C22H19N5O5S MolecularWeight: 465.48176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)C#N)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1

InChI

InChI=1S/C22H19N5O5S/c23-12-17-20(13-3-1-4-15(11-13)27(29)30)21-18(5-2-6-19(21)28)26(22(17)24)14-7-9-16(10-8-14)33(25,31)32/h1,3-4,7-11,20H,2,5-6,24H2,(H2,25,31,32)