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

Systemtic Name: 4-[5-(3-azanyl-4-cyano-1H-pyrazol-5-yl)pentylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[5-(3-amino-4-cyano-1H-pyrazol-5-yl)pentylamino]-N-methyl-3-nitro-benzenesulfonamide Formula: C16H21N7O4S MolecularWeight: 407.44744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N7O4S/c1-19-28(26,27)11-6-7-14(15(9-11)23(24)25)20-8-4-2-3-5-13-12(10-17)16(18)22-21-13/h6-7,9,19-20H,2-5,8H2,1H3,(H3,18,21,22)