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

Systemtic Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanyl-benzamide Openeye Name: 2-methylsulfanyl-N-[3-[4-(m-tolyl)piperazin-1-yl]sulfonylpropyl]benzamide CAS Name: N-[3-[[4-(3-methylphenyl)-1-piperazinyl]sulfonyl]propyl]-2-(methylthio)benzamide IUPAC Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylpropyl]-2-methylsulfanylbenzamide Traditional Name: 2-(methylthio)-N-[3-[4-(m-tolyl)piperazino]sulfonylpropyl]benzamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=CC=C3SC

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C22H29N3O3S2/c1-18-7-5-8-19(17-18)24-12-14-25(15-13-24)30(27,28)16-6-11-23-22(26)20-9-3-4-10-21(20)29-2/h3-5,7-10,17H,6,11-16H2,1-2H3,(H,23,26)