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

Systemtic Name: dibutyl-[3-[(2-methoxyphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium chloride Openeye Name: [3-[N-(benzenesulfonyl)-2-methoxy-anilino]-2-hydroxy-propyl]-dibutyl-ammonium chloride CAS Name: [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dibutylammonium chloride IUPAC Name: [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dibutylazanium chloride Traditional Name: [3-(N-besyl-2-methoxy-anilino)-2-hydroxy-propyl]-dibutyl-ammonium chloride Formula: C24H37ClN2O4S MolecularWeight: 485.07958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC(CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=CC=C2)O.[Cl-]

Isomeric SMILES

CCCC[NH+](CCCC)CC(CN(C1=CC=CC=C1OC)S(=O)(=O)C2=CC=CC=C2)O.[Cl-]

InChI

InChI=1S/C24H36N2O4S.ClH/c1-4-6-17-25(18-7-5-2)19-21(27)20-26(23-15-11-12-16-24(23)30-3)31(28,29)22-13-9-8-10-14-22;/h8-16,21,27H,4-7,17-20H2,1-3H3;1H