2-[(3,5-dimethylphenyl)methylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3,5-dimethylphenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(3,5-dimethylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3,5-dimethylphenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[(3,5-dimethylbenzyl)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)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-17-12-18(2)14-19(13-17)15-27-16-21(24)22-8-10-23(11-9-22)28(25,26)20-6-4-3-5-7-20/h3-7,12-14H,8-11,15-16H2,1-2H3