1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-methylsulfanyl-ethanone

Systemtic Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-methylsulfanyl-ethanone Openeye Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-2-methylsulfanyl-ethanone CAS Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-(methylthio)ethanone IUPAC Name: 1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-2-methylsulfanylethanone Traditional Name: 1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-2-(methylthio)ethanone Formula: C14H19N3O5S2 MolecularWeight: 373.44776

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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)CSC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CSC

InChI

InChI=1S/C14H19N3O5S2/c1-11-3-4-12(17(19)20)9-13(11)24(21,22)16-7-5-15(6-8-16)14(18)10-23-2/h3-4,9H,5-8,10H2,1-2H3