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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(N(N=C2C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1CCCN(C1)S(=O)(=O)C2=C(N(N=C2C)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N4O6S2/c1-12-6-5-9-19(11-12)29(26,27)17-13(2)18-20(14(17)3)28(24,25)16-8-4-7-15(10-16)21(22)23/h4,7-8,10,12H,5-6,9,11H2,1-3H3/t12-/m1/s1