N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide CAS Name: N-[3-[[4-(4-methoxyphenyl)-1-piperazinyl]sulfonyl]propyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylpropyl]acetamide Traditional Name: 2-(benzylthio)-N-[3-[4-(4-methoxyphenyl)piperazino]sulfonylpropyl]acetamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S2/c1-30-22-10-8-21(9-11-22)25-13-15-26(16-14-25)32(28,29)17-5-12-24-23(27)19-31-18-20-6-3-2-4-7-20/h2-4,6-11H,5,12-19H2,1H3,(H,24,27)