3-[(4-chlorophenyl)sulfonylamino]propyl-triphenyl-phosphanium bromide

Systemtic Name: 3-[(4-chlorophenyl)sulfonylamino]propyl-triphenyl-phosphanium bromide Openeye Name: 3-[(4-chlorophenyl)sulfonylamino]propyl-triphenyl-phosphonium bromide CAS Name: 3-[(4-chlorophenyl)sulfonylamino]propyl-triphenylphosphonium bromide IUPAC Name: 3-[(4-chlorophenyl)sulfonylamino]propyl-triphenylphosphanium bromide Traditional Name: 3-[(4-chlorophenyl)sulfonylamino]propyl-triphenyl-phosphonium bromide Formula: C27H26BrClNO2PS MolecularWeight: 574.896601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClNO2PS.BrH/c28-23-17-19-27(20-18-23)33(30,31)29-21-10-22-32(24-11-4-1-5-12-24,25-13-6-2-7-14-25)26-15-8-3-9-16-26;/h1-9,11-20,29H,10,21-22H2;1H/q+1;/p-1