1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-pyrazol-4-yl]sulfonyl-4-methyl-piperidine

Systemtic Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-pyrazol-4-yl]sulfonyl-4-methyl-piperidine Openeye Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-pyrazol-4-yl]sulfonyl-4-methyl-piperidine CAS Name: 1-[[3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-4-pyrazolyl]sulfonyl]-4-methylpiperidine IUPAC Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazol-4-yl]sulfonyl-4-methylpiperidine Traditional Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-pyrazol-4-yl]sulfonyl-4-methyl-piperidine Formula: C17H22N4O6S2 MolecularWeight: 442.50978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(N(N=C2C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N4O6S2/c1-12-7-9-19(10-8-12)29(26,27)17-13(2)18-20(14(17)3)28(24,25)16-6-4-5-15(11-16)21(22)23/h4-6,11-12H,7-10H2,1-3H3