N-[2-(phenylmethylsulfanyl)ethyl]-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-benzylsulfanylethyl)benzamide CAS Name: 3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: 3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2-benzylsulfanylethyl)benzamide Traditional Name: N-[2-(benzylthio)ethyl]-3-[(4-besylpiperazino)methyl]benzamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C(=O)NCCSCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C(=O)NCCSCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S2/c31-27(28-14-19-34-22-23-8-3-1-4-9-23)25-11-7-10-24(20-25)21-29-15-17-30(18-16-29)35(32,33)26-12-5-2-6-13-26/h1-13,20H,14-19,21-22H2,(H,28,31)