dibutyl-[3-[(4-methylphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium chloride

Systemtic Name: dibutyl-[3-[(4-methylphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium chloride Openeye Name: [3-[N-(benzenesulfonyl)-4-methyl-anilino]-2-hydroxy-propyl]-dibutyl-ammonium chloride CAS Name: [3-[N-(benzenesulfonyl)-4-methylanilino]-2-hydroxypropyl]-dibutylammonium chloride IUPAC Name: [3-[N-(benzenesulfonyl)-4-methylanilino]-2-hydroxypropyl]-dibutylazanium chloride Traditional Name: [3-(N-besyl-4-methyl-anilino)-2-hydroxy-propyl]-dibutyl-ammonium chloride Formula: C24H37ClN2O3S MolecularWeight: 469.08018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O3S.ClH/c1-4-6-17-25(18-7-5-2)19-23(27)20-26(22-15-13-21(3)14-16-22)30(28,29)24-11-9-8-10-12-24;/h8-16,23,27H,4-7,17-20H2,1-3H3;1H