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

Systemtic Name: S-[2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Openeye Name: S-[2-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[oxo-[4-(2-pyrimidinylsulfamoyl)anilino]methyl]phenyl] ester bromide IUPAC Name: S-[2-[[4-(pyrimidin-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-pyrimidylsulfamoyl)phenyl]carbamoyl]phenyl] ester bromide Formula: C27H26BrN5O4S2 MolecularWeight: 628.56044

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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=NC=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=NC=CC=N4.[Br-]

InChI

InChI=1S/C27H25N5O4S2.BrH/c33-25(11-4-7-20-32-18-5-1-6-19-32)37-24-10-3-2-9-23(24)26(34)30-21-12-14-22(15-13-21)38(35,36)31-27-28-16-8-17-29-27;/h1-3,5-6,8-10,12-19H,4,7,11,20H2,(H-,28,29,30,31,34);1H