2-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazino]sulfonylbenzonitrile Formula: C17H20N6O4S MolecularWeight: 404.4435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4S/c1-13-17(23(24)25)14(2)22(19-13)12-20-7-9-21(10-8-20)28(26,27)16-6-4-3-5-15(16)11-18/h3-6H,7-10,12H2,1-2H3