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

Systemtic Name: 2-ethylsulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]benzamide Openeye Name: 2-ethylsulfanyl-N-[2-[4-(m-tolyl)piperazin-1-yl]sulfonylethyl]benzamide CAS Name: 2-(ethylthio)-N-[2-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethyl]benzamide Traditional Name: 2-(ethylthio)-N-[2-[4-(m-tolyl)piperazino]sulfonylethyl]benzamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S2/c1-3-29-21-10-5-4-9-20(21)22(26)23-11-16-30(27,28)25-14-12-24(13-15-25)19-8-6-7-18(2)17-19/h4-10,17H,3,11-16H2,1-2H3,(H,23,26)