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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=C(C(=NN1)N)C#N)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC1=C(C(=NN1)N)C#N)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

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