1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone

Systemtic Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Openeye Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone CAS Name: 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethanone IUPAC Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone Traditional Name: 1-[4-(4-chlorophenyl)sulfonylpiperazino]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanone Formula: C17H20ClN5O5S MolecularWeight: 441.8892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN5O5S/c1-12-17(23(25)26)13(2)22(19-12)11-16(24)20-7-9-21(10-8-20)29(27,28)15-5-3-14(18)4-6-15/h3-6H,7-11H2,1-2H3