2-ethylsulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide

Systemtic Name: 2-ethylsulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide Openeye Name: 2-ethylsulfanyl-N-[3-[4-(m-tolyl)piperazin-1-yl]sulfonylpropyl]benzamide CAS Name: 2-(ethylthio)-N-[3-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]benzamide Traditional Name: 2-(ethylthio)-N-[3-[4-(m-tolyl)piperazino]sulfonylpropyl]benzamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C

InChI

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