S-[2-[[4-(ethanoylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide

Systemtic Name: S-[2-[[4-(ethanoylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Openeye Name: S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[[4-(acetylsulfamoyl)anilino]-oxomethyl]phenyl] ester bromide IUPAC Name: S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] ester bromide Formula: C25H26BrN3O5S2 MolecularWeight: 592.52504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H25N3O5S2.BrH/c1-19(29)27-35(32,33)21-14-12-20(13-15-21)26-25(31)22-9-3-4-10-23(22)34-24(30)11-5-8-18-28-16-6-2-7-17-28;/h2-4,6-7,9-10,12-17H,5,8,11,18H2,1H3,(H-,26,27,29,31);1H