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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N7O4S/c1-19(2,3)25-31(29,30)13-8-9-16(17(11-13)26(27)28)22-10-6-4-5-7-15-14(12-20)18(21)24-23-15/h8-9,11,22,25H,4-7,10H2,1-3H3,(H3,21,23,24)