S-[2-[[4-[(3-azanyl-3-oxidanylidene-propyl)sulfamoyl]phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide

Systemtic Name: S-[2-[[4-[(3-azanyl-3-oxidanylidene-propyl)sulfamoyl]phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Openeye Name: S-[2-[[4-[(3-amino-3-oxo-propyl)sulfamoyl]phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[[4-[(3-amino-3-oxopropyl)sulfamoyl]anilino]-oxomethyl]phenyl] ester bromide IUPAC Name: S-[2-[[4-[(3-amino-3-oxopropyl)sulfamoyl]phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[[4-[(3-amino-3-keto-propyl)sulfamoyl]phenyl]carbamoyl]phenyl] ester bromide Formula: C26H29BrN4O5S2 MolecularWeight: 621.56626

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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)NCCC(=O)N.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O5S2.BrH/c27-24(31)15-16-28-37(34,35)21-13-11-20(12-14-21)29-26(33)22-8-2-3-9-23(22)36-25(32)10-4-7-19-30-17-5-1-6-18-30;/h1-3,5-6,8-9,11-14,17-18,28H,4,7,10,15-16,19H2,(H2-,27,29,31,33);1H