2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(1-piperidylsulfonyl)phenyl]ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-(1-piperidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-piperidinosulfonylphenyl)ethanone Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-13-18(22(24)25)14(2)21(19-13)12-17(23)15-6-8-16(9-7-15)28(26,27)20-10-4-3-5-11-20/h6-9H,3-5,10-12H2,1-2H3