3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[2-(methylthio)phenyl]benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(methylthio)phenyl]benzamide Formula: C19H24N3O3S2+ MolecularWeight: 406.54216

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C19H23N3O3S2/c1-21-10-12-22(13-11-21)27(24,25)16-7-5-6-15(14-16)19(23)20-17-8-3-4-9-18(17)26-2/h3-9,14H,10-13H2,1-2H3,(H,20,23)/p+1