2-methylsulfanyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

Systemtic Name: 2-methylsulfanyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 2-methylsulfanyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 2-(methylthio)-N-[2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 2-methylsulfanyl-N-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 2-(methylthio)-N-[2-(4-pyridin-1-ium-2-ylpiperazino)sulfonylethyl]benzamide Formula: C19H25N4O3S2+ MolecularWeight: 421.5568

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H24N4O3S2/c1-27-17-7-3-2-6-16(17)19(24)21-10-15-28(25,26)23-13-11-22(12-14-23)18-8-4-5-9-20-18/h2-9H,10-15H2,1H3,(H,21,24)/p+1