2-(4-methylphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-methylphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(p-tolylsulfanyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 2-(4-methylphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(p-tolylthio)-1-(4-tosylpiperazino)propan-1-one Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-16-4-8-19(9-5-16)27-18(3)21(24)22-12-14-23(15-13-22)28(25,26)20-10-6-17(2)7-11-20/h4-11,18H,12-15H2,1-3H3