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

Systemtic Name: [3-[(2-methoxyphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]-dimethyl-azanium chloride Openeye Name: [3-[N-(benzenesulfonyl)-2-methoxy-anilino]-2-hydroxy-propyl]-dimethyl-ammonium chloride CAS Name: [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylammonium chloride IUPAC Name: [3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium chloride Traditional Name: [3-(N-besyl-2-methoxy-anilino)-2-hydroxy-propyl]-dimethyl-ammonium chloride Formula: C18H25ClN2O4S MolecularWeight: 400.9201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S.ClH/c1-19(2)13-15(21)14-20(17-11-7-8-12-18(17)24-3)25(22,23)16-9-5-4-6-10-16;/h4-12,15,21H,13-14H2,1-3H3;1H