2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C18H21N5O5S2 MolecularWeight: 451.51984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C18H21N5O5S2/c1-13-11-14(2)20-18(19-13)29-12-17(24)21-7-9-22(10-8-21)30(27,28)16-6-4-3-5-15(16)23(25)26/h3-6,11H,7-10,12H2,1-2H3