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

Systemtic Name: 2-butylsulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-butylsulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(butylthio)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-butylsulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(butylthio)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C16H23N3O5S2 MolecularWeight: 401.50092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O5S2/c1-2-3-11-25-13-16(20)17-7-9-18(10-8-17)26(23,24)15-6-4-5-14(12-15)19(21)22/h4-6,12H,2-3,7-11,13H2,1H3