4-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-N-tert-butyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-N-tert-butyl-3-nitro-benzenesulfonamide Openeye Name: 4-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: 4-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propylamino]-N-tert-butyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propylamino]-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C23H27N7O4S MolecularWeight: 497.56998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O4S/c1-23(2,3)28-35(33,34)17-11-12-20(21(14-17)30(31)32)26-13-7-10-19-18(15-24)22(25)29(27-19)16-8-5-4-6-9-16/h4-6,8-9,11-12,14,26,28H,7,10,13,25H2,1-3H3