N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: 4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(p-tolylmethylsulfanyl)ethyl]benzamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-4-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: 4-[(4-mesylpiperazino)methyl]-N-[2-[(4-methylbenzyl)thio]ethyl]benzamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2=CC=C(C=C2)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O3S2/c1-19-3-5-21(6-4-19)18-30-16-11-24-23(27)22-9-7-20(8-10-22)17-25-12-14-26(15-13-25)31(2,28)29/h3-10H,11-18H2,1-2H3,(H,24,27)