1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylsulfonyl]piperidine

Systemtic Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylsulfonyl]piperidine Openeye Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylsulfonyl]piperidine CAS Name: 1-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethylsulfonyl]piperidine IUPAC Name: 1-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethylsulfonyl]piperidine Traditional Name: 1-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethylsulfonyl]piperidine Formula: C12H20N4O4S MolecularWeight: 316.3766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCS(=O)(=O)N2CCCCC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCS(=O)(=O)N2CCCCC2)C)[N+](=O)[O-]

InChI

InChI=1S/C12H20N4O4S/c1-10-12(16(17)18)11(2)15(13-10)8-9-21(19,20)14-6-4-3-5-7-14/h3-9H2,1-2H3