S-[2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide

Systemtic Name: S-[2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Openeye Name: S-[2-[[4-(thiazol-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-thiazolylsulfamoyl)anilino]methyl]phenyl] ester bromide IUPAC Name: S-[2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[[4-(thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl] ester bromide Formula: C26H25BrN4O4S3 MolecularWeight: 633.6001

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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=CS4.[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=CS4.[Br-]

InChI

InChI=1S/C26H24N4O4S3.BrH/c31-24(10-4-7-18-30-16-5-1-6-17-30)36-23-9-3-2-8-22(23)25(32)28-20-11-13-21(14-12-20)37(33,34)29-26-27-15-19-35-26;/h1-3,5-6,8-9,11-17,19H,4,7,10,18H2,(H-,27,28,29,32);1H