4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-[(4-tosylpiperazino)methyl]benzamide Formula: C28H33N3O3S2 MolecularWeight: 523.70992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3S2/c1-23-7-13-27(14-8-23)36(33,34)31-18-16-30(17-19-31)21-24-9-11-26(12-10-24)28(32)29-15-20-35-22-25-5-3-2-4-6-25/h2-14H,15-22H2,1H3,(H,29,32)