3-(4-methylphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-methylphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(p-tolylsulfanyl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 3-(4-methylphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(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)SCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

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