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

Systemtic Name: S-[2-[[4-(phenylcarbonylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Openeye Name: S-[2-[[4-(benzoylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[[4-(benzoylsulfamoyl)anilino]-oxomethyl]phenyl] ester bromide IUPAC Name: S-[2-[[4-(benzoylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[[4-(benzoylsulfamoyl)phenyl]carbamoyl]phenyl] ester bromide Formula: C30H28BrN3O5S2 MolecularWeight: 654.59442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SC(=O)CCCC[N+]4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SC(=O)CCCC[N+]4=CC=CC=C4.[Br-]

InChI

InChI=1S/C30H27N3O5S2.BrH/c34-28(15-7-10-22-33-20-8-2-9-21-33)39-27-14-6-5-13-26(27)30(36)31-24-16-18-25(19-17-24)40(37,38)32-29(35)23-11-3-1-4-12-23;/h1-6,8-9,11-14,16-21H,7,10,15,22H2,(H-,31,32,35,36);1H