4-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propylamino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C22H25N7O4S MolecularWeight: 483.5434

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H25N7O4S/c1-15(2)27-34(32,33)17-10-11-20(21(13-17)29(30)31)25-12-6-9-19-18(14-23)22(24)28(26-19)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,25,27H,6,9,12,24H2,1-2H3