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

Systemtic Name: [3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-dimethyl-azanium chloride Openeye Name: [2-hydroxy-3-[4-methoxy-N-(p-tolylsulfonyl)anilino]propyl]-dimethyl-ammonium chloride CAS Name: [2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]-dimethylammonium chloride IUPAC Name: [2-hydroxy-3-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propyl]-dimethylazanium chloride Traditional Name: [2-hydroxy-3-(4-methoxy-N-tosyl-anilino)propyl]-dimethyl-ammonium chloride Formula: C19H27ClN2O4S MolecularWeight: 414.94668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4S.ClH/c1-15-5-11-19(12-6-15)26(23,24)21(14-17(22)13-20(2)3)16-7-9-18(25-4)10-8-16;/h5-12,17,22H,13-14H2,1-4H3;1H