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

Systemtic Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone Openeye Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(2-thienylmethylsulfanyl)ethanone CAS Name: 1-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-2-(thiophen-2-ylmethylthio)ethanone IUPAC Name: 1-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone Traditional Name: 1-[4-(2-nitrophenyl)sulfonylpiperazino]-2-(2-thenylthio)ethanone Formula: C17H19N3O5S3 MolecularWeight: 441.54486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC=CS2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S3/c21-17(13-26-12-14-4-3-11-27-14)18-7-9-19(10-8-18)28(24,25)16-6-2-1-5-15(16)20(22)23/h1-6,11H,7-10,12-13H2