S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide

Systemtic Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Openeye Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[oxo-[(4-sulfamoylphenyl)methylamino]methyl]phenyl] ester bromide IUPAC Name: S-[2-[(4-sulfamoylphenyl)methylcarbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[(4-sulfamoylbenzyl)carbamoyl]phenyl] ester bromide Formula: C24H26BrN3O4S2 MolecularWeight: 564.51494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCCC(=O)SC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCCCC(=O)SC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N.[Br-]

InChI

InChI=1S/C24H25N3O4S2.BrH/c25-33(30,31)20-13-11-19(12-14-20)18-26-24(29)21-8-2-3-9-22(21)32-23(28)10-4-7-17-27-15-5-1-6-16-27;/h1-3,5-6,8-9,11-16H,4,7,10,17-18H2,(H2-,25,26,29,30,31);1H