2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C15H19N5O5S2 MolecularWeight: 413.47186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O5S2/c1-11-15(20(22)23)12(2)19(16-11)10-13(21)17-5-7-18(8-6-17)27(24,25)14-4-3-9-26-14/h3-4,9H,5-8,10H2,1-2H3