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

Systemtic Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-[4-(m-tolyl)piperazin-1-yl]sulfonylpropyl]acetamide CAS Name: N-[3-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]propyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]acetamide Traditional Name: 2-(benzylthio)-N-[3-[4-(m-tolyl)piperazino]sulfonylpropyl]acetamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S2/c1-20-7-5-10-22(17-20)25-12-14-26(15-13-25)31(28,29)16-6-11-24-23(27)19-30-18-21-8-3-2-4-9-21/h2-5,7-10,17H,6,11-16,18-19H2,1H3,(H,24,27)