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

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-sulfamoylphenyl)benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-sulfamoylphenyl)benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(3-sulfamoylphenyl)benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-sulfamoylphenyl)benzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-sulfamoylphenyl)benzamide Formula: C18H23N4O5S2+ MolecularWeight: 439.52902

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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=C3)S(=O)(=O)N

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C18H22N4O5S2/c1-21-8-10-22(11-9-21)29(26,27)17-7-2-4-14(12-17)18(23)20-15-5-3-6-16(13-15)28(19,24)25/h2-7,12-13H,8-11H2,1H3,(H,20,23)(H2,19,24,25)/p+1