S-[2-[[4-(ethanoylsulfamoyl)phenyl]carbamoyl]phenyl] 6-pyridin-1-ium-1-ylhexanethioate bromide

Systemtic Name: S-[2-[[4-(ethanoylsulfamoyl)phenyl]carbamoyl]phenyl] 6-pyridin-1-ium-1-ylhexanethioate bromide Openeye Name: S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] 6-pyridin-1-ium-1-ylhexanethioate bromide CAS Name: 6-(1-pyridin-1-iumyl)hexanethioic acid S-[2-[[4-(acetylsulfamoyl)anilino]-oxomethyl]phenyl] ester bromide IUPAC Name: S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] 6-pyridin-1-ium-1-ylhexanethioate bromide Traditional Name: 6-pyridin-1-ium-1-ylhexanethioic acid S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] ester bromide Formula: C26H28BrN3O5S2 MolecularWeight: 606.55162

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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=C2SC(=O)CCCCC[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC(=O)CCCCC[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C26H27N3O5S2.BrH/c1-20(30)28-36(33,34)22-15-13-21(14-16-22)27-26(32)23-10-5-6-11-24(23)35-25(31)12-4-2-7-17-29-18-8-3-9-19-29;/h3,5-6,8-11,13-16,18-19H,2,4,7,12,17H2,1H3,(H-,27,28,30,32);1H