1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-2-[(4-nitrophenyl)thio]ethanone Formula: C16H16ClN3O5S3 MolecularWeight: 461.96334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H16ClN3O5S3/c17-14-5-6-16(27-14)28(24,25)19-9-7-18(8-10-19)15(21)11-26-13-3-1-12(2-4-13)20(22)23/h1-6H,7-11H2