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

Systemtic Name: S-[2-[[4-(4-nitrophenyl)sulfonylphenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Openeye Name: S-[2-[[4-(4-nitrophenyl)sulfonylphenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-[2-[[4-(4-nitrophenyl)sulfonylanilino]-oxomethyl]phenyl] ester bromide IUPAC Name: S-[2-[[4-(4-nitrophenyl)sulfonylphenyl]carbamoyl]phenyl] 5-pyridin-1-ium-1-ylpentanethioate bromide Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-[2-[(4-nosylphenyl)carbamoyl]phenyl] ester bromide Formula: C29H26BrN3O6S2 MolecularWeight: 656.56724

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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+](=O)[O-].[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+](=O)[O-].[Br-]

InChI

InChI=1S/C29H25N3O6S2.BrH/c33-28(10-4-7-21-31-19-5-1-6-20-31)39-27-9-3-2-8-26(27)29(34)30-22-11-15-24(16-12-22)40(37,38)25-17-13-23(14-18-25)32(35)36;/h1-3,5-6,8-9,11-20H,4,7,10,21H2;1H