4-[5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentylamino]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentylamino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C19H27N7O4S MolecularWeight: 449.52718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H27N7O4S/c1-3-25(4-2)31(29,30)14-9-10-17(18(12-14)26(27)28)22-11-7-5-6-8-16-15(13-20)19(21)24-23-16/h9-10,12,22H,3-8,11H2,1-2H3,(H3,21,23,24)