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

Systemtic Name: 2-(4-methoxyphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(4-methoxyphenyl)sulfanyl-1-[4-(p-tolylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 2-[(4-methoxyphenyl)thio]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-methoxyphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-[(4-methoxyphenyl)thio]-1-(4-tosylpiperazino)propan-1-one Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O4S2/c1-16-4-10-20(11-5-16)29(25,26)23-14-12-22(13-15-23)21(24)17(2)28-19-8-6-18(27-3)7-9-19/h4-11,17H,12-15H2,1-3H3