4-(dimethylsulfamoyl)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

Systemtic Name: 4-(dimethylsulfamoyl)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Openeye Name: 4-(dimethylsulfamoyl)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide CAS Name: 4-(dimethylsulfamoyl)-N-[3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]propyl]benzamide IUPAC Name: 4-(dimethylsulfamoyl)-N-[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide Traditional Name: 4-(dimethylsulfamoyl)-N-[3-(4-pyridin-1-ium-2-ylpiperazino)sulfonylpropyl]benzamide Formula: C21H30N5O5S2+ MolecularWeight: 496.6234

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H29N5O5S2/c1-24(2)33(30,31)19-9-7-18(8-10-19)21(27)23-12-5-17-32(28,29)26-15-13-25(14-16-26)20-6-3-4-11-22-20/h3-4,6-11H,5,12-17H2,1-2H3,(H,23,27)/p+1