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

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-bromophenyl)methylthio]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4-bromobenzyl)thio]-1-(4-tosylpiperazino)ethanone Formula: C20H23BrN2O3S2 MolecularWeight: 483.44222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2O3S2/c1-16-2-8-19(9-3-16)28(25,26)23-12-10-22(11-13-23)20(24)15-27-14-17-4-6-18(21)7-5-17/h2-9H,10-15H2,1H3