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

Systemtic Name: 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(phenylmethylsulfanyl)propan-1-one Openeye Name: 2-benzylsulfanyl-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-2-(phenylmethylthio)-1-propanone IUPAC Name: 2-benzylsulfanyl-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(benzylthio)-1-[4-(4-methoxyphenyl)sulfonylpiperazino]propan-1-one Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S2/c1-17(28-16-18-6-4-3-5-7-18)21(24)22-12-14-23(15-13-22)29(25,26)20-10-8-19(27-2)9-11-20/h3-11,17H,12-16H2,1-2H3