6-[3-[(3-methoxy-4-methylsulfinyl-phenyl)methylamino]-2-oxidanyl-propoxy]-1H-quinolin-2-one hydrochloride

Systemtic Name: 6-[3-[(3-methoxy-4-methylsulfinyl-phenyl)methylamino]-2-oxidanyl-propoxy]-1H-quinolin-2-one hydrochloride Openeye Name: 6-[2-hydroxy-3-[(3-methoxy-4-methylsulfinyl-phenyl)methylamino]propoxy]-1H-quinolin-2-one hydrochloride CAS Name: 6-[2-hydroxy-3-[(3-methoxy-4-methylsulfinylphenyl)methylamino]propoxy]-1H-quinolin-2-one hydrochloride IUPAC Name: 6-[2-hydroxy-3-[(3-methoxy-4-methylsulfinylphenyl)methylamino]propoxy]-1H-quinolin-2-one hydrochloride Traditional Name: 6-[2-hydroxy-3-[(3-methoxy-4-methylsulfinyl-benzyl)amino]propoxy]carbostyril hydrochloride Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCC(COC2=CC3=C(C=C2)NC(=O)C=C3)O)S(=O)C.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CNCC(COC2=CC3=C(C=C2)NC(=O)C=C3)O)S(=O)C.Cl

InChI

InChI=1S/C21H24N2O5S.ClH/c1-27-19-9-14(3-7-20(19)29(2)26)11-22-12-16(24)13-28-17-5-6-18-15(10-17)4-8-21(25)23-18;/h3-10,16,22,24H,11-13H2,1-2H3,(H,23,25);1H