2-[(3-methylphenyl)methylsulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(m-tolylmethylsulfanyl)ethanone CAS Name: 2-[(3-methylphenyl)methylthio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(3-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(3-methylbenzyl)thio]ethanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-18-6-5-9-20(14-18)15-27-16-21(24)22-10-12-23(13-11-22)28(25,26)17-19-7-3-2-4-8-19/h2-9,14H,10-13,15-17H2,1H3