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

Systemtic Name: 4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propylamino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propylamino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C17H23N7O4S MolecularWeight: 421.47402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N7O4S/c1-3-23(4-2)29(27,28)12-7-8-15(16(10-12)24(25)26)20-9-5-6-14-13(11-18)17(19)22-21-14/h7-8,10,20H,3-6,9H2,1-2H3,(H3,19,21,22)