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

Systemtic Name: 4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propylamino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N-methyl-3-nitro-benzenesulfonamide Formula: C14H17N7O4S MolecularWeight: 379.39428

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H17N7O4S/c1-17-26(24,25)9-4-5-12(13(7-9)21(22)23)18-6-2-3-11-10(8-15)14(16)20-19-11/h4-5,7,17-18H,2-3,6H2,1H3,(H3,16,19,20)