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

Systemtic Name: S-[2-[[4-(4-aminophenyl)sulfonylphenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Openeye Name: S-[2-[[4-(4-aminophenyl)sulfonylphenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[[4-(4-aminophenyl)sulfonylanilino]-oxomethyl]phenyl] ester bromide IUPAC Name: S-[2-[[4-(4-aminophenyl)sulfonylphenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[(4-sulfanilylphenyl)carbamoyl]phenyl] ester bromide Formula: C29H28BrN3O4S2 MolecularWeight: 626.58432

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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)C4=CC=C(C=C4)N.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCCCC(=O)SC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N.[Br-]

InChI

InChI=1S/C29H27N3O4S2.BrH/c30-22-11-15-24(16-12-22)38(35,36)25-17-13-23(14-18-25)31-29(34)26-8-2-3-9-27(26)37-28(33)10-4-7-21-32-19-5-1-6-20-32;/h1-3,5-6,8-9,11-20H,4,7,10,21,30H2;1H