1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

Systemtic Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Openeye Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone CAS Name: 1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-(1,3,5-trimethyl-4-pyrazolyl)ethanone IUPAC Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Traditional Name: 1-[4-(2-nitrophenyl)sulfonylpiperazino]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5S/c1-13-15(14(2)20(3)19-13)12-18(24)21-8-10-22(11-9-21)29(27,28)17-7-5-4-6-16(17)23(25)26/h4-7H,8-12H2,1-3H3