3-[(3-methoxy-4-methylsulfinyl-phenyl)methylamino]-1-(2-oxidanylpropoxy)quinolin-2-one hydrochloride

Systemtic Name: 3-[(3-methoxy-4-methylsulfinyl-phenyl)methylamino]-1-(2-oxidanylpropoxy)quinolin-2-one hydrochloride Openeye Name: 1-(2-hydroxypropoxy)-3-[(3-methoxy-4-methylsulfinyl-phenyl)methylamino]quinolin-2-one hydrochloride CAS Name: 1-(2-hydroxypropoxy)-3-[(3-methoxy-4-methylsulfinylphenyl)methylamino]-2-quinolinone hydrochloride IUPAC Name: 1-(2-hydroxypropoxy)-3-[(3-methoxy-4-methylsulfinylphenyl)methylamino]quinolin-2-one hydrochloride Traditional Name: 1-(2-hydroxypropoxy)-3-[(3-methoxy-4-methylsulfinyl-benzyl)amino]carbostyril hydrochloride Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CC(CON1C2=CC=CC=C2C=C(C1=O)NCC3=CC(=C(C=C3)S(=O)C)OC)O.Cl

Isomeric SMILES

CC(CON1C2=CC=CC=C2C=C(C1=O)NCC3=CC(=C(C=C3)S(=O)C)OC)O.Cl

InChI

InChI=1S/C21H24N2O5S.ClH/c1-14(24)13-28-23-18-7-5-4-6-16(18)11-17(21(23)25)22-12-15-8-9-20(29(3)26)19(10-15)27-2;/h4-11,14,22,24H,12-13H2,1-3H3;1H