N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: 3-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(p-tolylmethylsulfanyl)ethyl]benzamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: 3-[(4-mesylpiperazino)methyl]-N-[2-[(4-methylbenzyl)thio]ethyl]benzamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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