[3-[(4-methylphenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium chloride

Systemtic Name: [3-[(4-methylphenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium chloride Openeye Name: [2-hydroxy-3-[N-(p-tolylsulfonyl)anilino]propyl]-diisobutyl-ammonium chloride CAS Name: [2-hydroxy-3-(N-(4-methylphenyl)sulfonylanilino)propyl]-bis(2-methylpropyl)ammonium chloride IUPAC Name: [2-hydroxy-3-(N-(4-methylphenyl)sulfonylanilino)propyl]-bis(2-methylpropyl)azanium chloride Traditional Name: [2-hydroxy-3-(N-tosylanilino)propyl]-diisobutyl-ammonium chloride Formula: C24H37ClN2O3S MolecularWeight: 469.08018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+](CC(C)C)CC(C)C)O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+](CC(C)C)CC(C)C)O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C24H36N2O3S.ClH/c1-19(2)15-25(16-20(3)4)17-23(27)18-26(22-9-7-6-8-10-22)30(28,29)24-13-11-21(5)12-14-24;/h6-14,19-20,23,27H,15-18H2,1-5H3;1H