dibutyl-[2-oxidanyl-3-[phenyl(phenylsulfonyl)amino]propyl]azanium chloride

Systemtic Name: dibutyl-[2-oxidanyl-3-[phenyl(phenylsulfonyl)amino]propyl]azanium chloride Openeye Name: [3-[N-(benzenesulfonyl)anilino]-2-hydroxy-propyl]-dibutyl-ammonium chloride CAS Name: [3-[N-(benzenesulfonyl)anilino]-2-hydroxypropyl]-dibutylammonium chloride IUPAC Name: [3-[N-(benzenesulfonyl)anilino]-2-hydroxypropyl]-dibutylazanium chloride Traditional Name: [3-(N-besylanilino)-2-hydroxy-propyl]-dibutyl-ammonium chloride Formula: C23H35ClN2O3S MolecularWeight: 455.0536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC(CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CCCC[NH+](CCCC)CC(CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C23H34N2O3S.ClH/c1-3-5-17-24(18-6-4-2)19-22(26)20-25(21-13-9-7-10-14-21)29(27,28)23-15-11-8-12-16-23;/h7-16,22,26H,3-6,17-20H2,1-2H3;1H