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

Systemtic Name: S-[2-[[4-[(2-azanyl-2-oxidanylidene-ethyl)sulfamoyl]phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Openeye Name: S-[2-[[4-[(2-amino-2-oxo-ethyl)sulfamoyl]phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[[4-[(2-amino-2-oxoethyl)sulfamoyl]anilino]-oxomethyl]phenyl] ester bromide IUPAC Name: S-[2-[[4-[(2-amino-2-oxoethyl)sulfamoyl]phenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[[4-[(2-amino-2-keto-ethyl)sulfamoyl]phenyl]carbamoyl]phenyl] ester bromide Formula: C25H27BrN4O5S2 MolecularWeight: 607.53968

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

InChI

InChI=1S/C25H26N4O5S2.BrH/c26-23(30)18-27-36(33,34)20-13-11-19(12-14-20)28-25(32)21-8-2-3-9-22(21)35-24(31)10-4-7-17-29-15-5-1-6-16-29;/h1-3,5-6,8-9,11-16,27H,4,7,10,17-18H2,(H2-,26,28,30,32);1H