4-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(4-cyano-2-pyridyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-[4-(4-cyano-2-pyridinyl)-1-piperazinyl]-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(4-cyano-2-pyridyl)piperazino]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C24H24N6O4S MolecularWeight: 492.55016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC(=C4)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC(=C4)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C24H24N6O4S/c1-17-3-5-21(18(2)13-17)27-35(33,34)20-4-6-22(23(15-20)30(31)32)28-9-11-29(12-10-28)24-14-19(16-25)7-8-26-24/h3-8,13-15,27H,9-12H2,1-2H3