4-(tert-butylsulfamoyl)-N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzamide

Systemtic Name: 4-(tert-butylsulfamoyl)-N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzamide Openeye Name: 4-(tert-butylsulfamoyl)-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzamide CAS Name: 4-(tert-butylsulfamoyl)-N-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 4-(tert-butylsulfamoyl)-N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzamide Traditional Name: 4-(tert-butylsulfamoyl)-N-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]benzamide Formula: C22H30N5O4S+ MolecularWeight: 460.5697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H29N5O4S/c1-22(2,3)25-32(30,31)18-9-7-17(8-10-18)21(29)24-16-20(28)27-14-12-26(13-15-27)19-6-4-5-11-23-19/h4-11,25H,12-16H2,1-3H3,(H,24,29)/p+1