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

Systemtic Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-(2-thienylsulfanyl)ethanone CAS Name: 1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-2-(thiophen-2-ylthio)ethanone IUPAC Name: 1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylsulfanylethanone Traditional Name: 1-[4-(3-nitrophenyl)sulfonylpiperazino]-2-(2-thienylthio)ethanone Formula: C16H17N3O5S3 MolecularWeight: 427.51828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=CS2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=CS2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S3/c20-15(12-26-16-5-2-10-25-16)17-6-8-18(9-7-17)27(23,24)14-4-1-3-13(11-14)19(21)22/h1-5,10-11H,6-9,12H2