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

Systemtic Name: [3-[(4-methoxyphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]-dimethyl-azanium chloride Openeye Name: [3-[N-(benzenesulfonyl)-4-methoxy-anilino]-2-hydroxy-propyl]-dimethyl-ammonium chloride CAS Name: [3-[N-(benzenesulfonyl)-4-methoxyanilino]-2-hydroxypropyl]-dimethylammonium chloride IUPAC Name: [3-[N-(benzenesulfonyl)-4-methoxyanilino]-2-hydroxypropyl]-dimethylazanium chloride Traditional Name: [3-(N-besyl-4-methoxy-anilino)-2-hydroxy-propyl]-dimethyl-ammonium chloride Formula: C18H25ClN2O4S MolecularWeight: 400.9201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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