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

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-2-(p-tolylmethylsulfanyl)ethanone CAS Name: 1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-[(4-methylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-2-[(4-methylbenzyl)thio]ethanone Formula: C18H21BrN2O3S3 MolecularWeight: 489.46994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H21BrN2O3S3/c1-14-2-4-15(5-3-14)12-25-13-17(22)20-8-10-21(11-9-20)27(23,24)18-7-6-16(19)26-18/h2-7H,8-13H2,1H3