2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C19H23N5O5S2 MolecularWeight: 465.54642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C19H23N5O5S2/c1-13-4-5-16(24(26)27)11-17(13)31(28,29)23-8-6-22(7-9-23)18(25)12-30-19-20-14(2)10-15(3)21-19/h4-5,10-11H,6-9,12H2,1-3H3