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

Systemtic Name: 2-butylsulfanyl-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-butylsulfanyl-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(butylthio)-1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-butylsulfanyl-1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(butylthio)-1-[4-(2-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/c1-2-3-12-25-13-16(20)17-8-10-18(11-9-17)26(23,24)15-7-5-4-6-14(15)19(21)22/h4-7H,2-3,8-13H2,1H3