2-methylsulfanyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]benzamide

Systemtic Name: 2-methylsulfanyl-N-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylethyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-methylsulfanyl-benzamide CAS Name: 2-(methylthio)-N-[2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]ethyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-methylsulfanylbenzamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)sulfonylethyl]-2-(methylthio)benzamide Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S2/c1-28-20-10-6-5-9-19(20)21(25)22-11-16-29(26,27)24-14-12-23(13-15-24)17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,22,25)/p+1