3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-3-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-[2-(benzylthio)ethyl]-3-[(4-tosylpiperazino)methyl]benzamide Formula: C28H33N3O3S2 MolecularWeight: 523.70992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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