[3-[(4-methoxyphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium chloride

Systemtic Name: [3-[(4-methoxyphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]-bis(2-methylpropyl)azanium chloride Openeye Name: [3-[N-(benzenesulfonyl)-4-methoxy-anilino]-2-hydroxy-propyl]-diisobutyl-ammonium chloride CAS Name: [3-[N-(benzenesulfonyl)-4-methoxyanilino]-2-hydroxypropyl]-bis(2-methylpropyl)ammonium chloride IUPAC Name: [3-[N-(benzenesulfonyl)-4-methoxyanilino]-2-hydroxypropyl]-bis(2-methylpropyl)azanium chloride Traditional Name: [3-(N-besyl-4-methoxy-anilino)-2-hydroxy-propyl]-diisobutyl-ammonium chloride Formula: C24H37ClN2O4S MolecularWeight: 485.07958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O4S.ClH/c1-19(2)15-25(16-20(3)4)17-22(27)18-26(21-11-13-23(30-5)14-12-21)31(28,29)24-9-7-6-8-10-24;/h6-14,19-20,22,27H,15-18H2,1-5H3;1H