N-[4-(ethanoylsulfamoyl)phenyl]-2-(5-pyridin-1-ium-1-ylpentanoylamino)benzamide bromide

Systemtic Name: N-[4-(ethanoylsulfamoyl)phenyl]-2-(5-pyridin-1-ium-1-ylpentanoylamino)benzamide bromide Openeye Name: N-[4-(acetylsulfamoyl)phenyl]-2-(5-pyridin-1-ium-1-ylpentanoylamino)benzamide bromide CAS Name: N-[4-(acetylsulfamoyl)phenyl]-2-[[1-oxo-5-(1-pyridin-1-iumyl)pentyl]amino]benzamide bromide IUPAC Name: N-[4-(acetylsulfamoyl)phenyl]-2-(5-pyridin-1-ium-1-ylpentanoylamino)benzamide bromide Traditional Name: N-[4-(acetylsulfamoyl)phenyl]-2-(5-pyridin-1-ium-1-ylpentanoylamino)benzamide bromide Formula: C25H27BrN4O5S MolecularWeight: 575.47468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CCCC[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)CCCC[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C25H26N4O5S.BrH/c1-19(30)28-35(33,34)21-14-12-20(13-15-21)26-25(32)22-9-3-4-10-23(22)27-24(31)11-5-8-18-29-16-6-2-7-17-29;/h2-4,6-7,9-10,12-17H,5,8,11,18H2,1H3,(H2-,26,27,28,30,31,32);1H