[1-oxidanylidene-1-(phenylsulfonylamino)pentan-2-yl]-triphenyl-phosphanium bromide

Systemtic Name: [1-oxidanylidene-1-(phenylsulfonylamino)pentan-2-yl]-triphenyl-phosphanium bromide Openeye Name: 1-(benzenesulfonylcarbamoyl)butyl-triphenyl-phosphonium bromide CAS Name: [1-(benzenesulfonamido)-1-oxopentan-2-yl]-triphenylphosphonium bromide IUPAC Name: [1-(benzenesulfonamido)-1-oxopentan-2-yl]-triphenylphosphanium bromide Traditional Name: 1-(besylcarbamoyl)butyl-triphenyl-phosphonium bromide Formula: C29H29BrNO3PS MolecularWeight: 582.488221

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NS(=O)(=O)C1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCCC(C(=O)NS(=O)(=O)C1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C29H28NO3PS.BrH/c1-2-15-28(29(31)30-35(32,33)27-22-13-6-14-23-27)34(24-16-7-3-8-17-24,25-18-9-4-10-19-25)26-20-11-5-12-21-26;/h3-14,16-23,28H,2,15H2,1H3;1H