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

Systemtic Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-pyrazol-4-yl]sulfonylpiperidine Openeye Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-pyrazol-4-yl]sulfonylpiperidine CAS Name: 1-[[3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-4-pyrazolyl]sulfonyl]piperidine IUPAC Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonylpyrazol-4-yl]sulfonylpiperidine Traditional Name: 1-[3,5-dimethyl-1-(3-nitrophenyl)sulfonyl-pyrazol-4-yl]sulfonylpiperidine Formula: C16H20N4O6S2 MolecularWeight: 428.4832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C16H20N4O6S2/c1-12-16(28(25,26)18-9-4-3-5-10-18)13(2)19(17-12)27(23,24)15-8-6-7-14(11-15)20(21)22/h6-8,11H,3-5,9-10H2,1-2H3