4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-methyl-amino]-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-methyl-amino]-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methyl-amino]-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methylamino]-N-ethyl-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methylamino]-N-ethyl-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methyl-amino]-N-ethyl-3-nitro-N-phenyl-benzenesulfonamide Formula: C22H25N7O4S MolecularWeight: 483.5434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCCC3=C(C(=NN3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H25N7O4S/c1-3-28(16-8-5-4-6-9-16)34(32,33)17-11-12-20(21(14-17)29(30)31)27(2)13-7-10-19-18(15-23)22(24)26-25-19/h4-6,8-9,11-12,14H,3,7,10,13H2,1-2H3,(H3,24,25,26)