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

Systemtic Name: 2-methylsulfanyl-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide Openeye Name: 2-methylsulfanyl-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide CAS Name: 2-(methylthio)-N-[2-[(4-phenethyl-1-piperazin-4-iumyl)sulfonyl]ethyl]benzamide IUPAC Name: 2-methylsulfanyl-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide Traditional Name: 2-(methylthio)-N-[2-(4-phenethylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide Formula: C22H30N3O3S2+ MolecularWeight: 448.6219

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S2/c1-29-21-10-6-5-9-20(21)22(26)23-12-18-30(27,28)25-16-14-24(15-17-25)13-11-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3,(H,23,26)/p+1