2-[(4-methylphenyl)methylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(p-tolylmethylsulfanyl)propan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(4-methylphenyl)methylthio]-1-propanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]propan-1-one Traditional Name: 1-(4-besylpiperazino)-2-[(4-methylbenzyl)thio]propan-1-one Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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