1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-propan-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-propan-2-ylsulfanyl-ethanone Openeye Name: 2-isopropylsulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(propan-2-ylthio)ethanone IUPAC Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-propan-2-ylsulfanylethanone Traditional Name: 2-(isopropylthio)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C15H21N3O5S2 MolecularWeight: 387.47434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)SCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O5S2/c1-12(2)24-11-15(19)16-6-8-17(9-7-16)25(22,23)14-5-3-4-13(10-14)18(20)21/h3-5,10,12H,6-9,11H2,1-2H3