3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Formula: C20H27N4O5S2+ MolecularWeight: 467.58218

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H26N4O5S2/c1-23-11-13-24(14-12-23)31(28,29)19-4-2-3-17(15-19)20(25)22-10-9-16-5-7-18(8-6-16)30(21,26)27/h2-8,15H,9-14H2,1H3,(H,22,25)(H2,21,26,27)/p+1