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

Systemtic Name: S-[2-[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Openeye Name: S-[2-[[4-(2-pyridylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[oxo-[4-(2-pyridinylsulfamoyl)anilino]methyl]phenyl] ester bromide IUPAC Name: S-[2-[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[[4-(2-pyridylsulfamoyl)phenyl]carbamoyl]phenyl] ester bromide Formula: C28H27BrN4O4S2 MolecularWeight: 627.57238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCCCC(=O)SC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCCCC(=O)SC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4.[Br-]

InChI

InChI=1S/C28H26N4O4S2.BrH/c33-27(13-5-9-21-32-19-7-1-8-20-32)37-25-11-3-2-10-24(25)28(34)30-22-14-16-23(17-15-22)38(35,36)31-26-12-4-6-18-29-26;/h1-4,6-8,10-12,14-20H,5,9,13,21H2,(H-,29,30,31,34);1H