3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide

Systemtic Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide Openeye Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[2-(p-tolylsulfanyl)ethyl]benzamide CAS Name: 3-[(4-ethylsulfonyl-1-piperazinyl)methyl]-N-[2-[(4-methylphenyl)thio]ethyl]benzamide IUPAC Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide Traditional Name: 3-[(4-esylpiperazino)methyl]-N-[2-(p-tolylthio)ethyl]benzamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C23H31N3O3S2/c1-3-31(28,29)26-14-12-25(13-15-26)18-20-5-4-6-21(17-20)23(27)24-11-16-30-22-9-7-19(2)8-10-22/h4-10,17H,3,11-16,18H2,1-2H3,(H,24,27)