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

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S2/c23-19(15-28-14-16-5-2-1-3-6-16)20-9-11-21(12-10-20)29(26,27)18-8-4-7-17(13-18)22(24)25/h1-8,13H,9-12,14-15H2