1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-2-(o-tolylsulfanyl)ethanone CAS Name: 1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-[(2-methylphenyl)thio]ethanone IUPAC Name: 1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2-methylphenyl)sulfanylethanone Traditional Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-2-(o-tolylthio)ethanone Formula: C17H19BrN2O3S3 MolecularWeight: 475.44336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H19BrN2O3S3/c1-13-4-2-3-5-14(13)24-12-16(21)19-8-10-20(11-9-19)26(22,23)17-7-6-15(18)25-17/h2-7H,8-12H2,1H3