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

Systemtic Name: S-[2-[[4-(ethanoylsulfamoyl)phenyl]carbamoyl]phenyl] 4-pyridin-1-ium-1-ylbutanethioate bromide Openeye Name: S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] 4-pyridin-1-ium-1-ylbutanethioate bromide CAS Name: 4-(1-pyridin-1-iumyl)butanethioic acid S-[2-[[4-(acetylsulfamoyl)anilino]-oxomethyl]phenyl] ester bromide IUPAC Name: S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] 4-pyridin-1-ium-1-ylbutanethioate bromide Traditional Name: 4-pyridin-1-ium-1-ylbutanethioic acid S-[2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]phenyl] ester bromide Formula: C24H24BrN3O5S2 MolecularWeight: 578.49846

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)CCC[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)CCC[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C24H23N3O5S2.BrH/c1-18(28)26-34(31,32)20-13-11-19(12-14-20)25-24(30)21-8-3-4-9-22(21)33-23(29)10-7-17-27-15-5-2-6-16-27;/h2-6,8-9,11-16H,7,10,17H2,1H3,(H-,25,26,28,30);1H