1-[4-[(2-methylphenyl)amino]-8-(2-methylsulfinylethoxy)quinolin-3-yl]butan-1-one hydrochloride

Systemtic Name: 1-[4-[(2-methylphenyl)amino]-8-(2-methylsulfinylethoxy)quinolin-3-yl]butan-1-one hydrochloride Openeye Name: 1-[4-(2-methylanilino)-8-(2-methylsulfinylethoxy)-3-quinolyl]butan-1-one hydrochloride CAS Name: 1-[4-(2-methylanilino)-8-(2-methylsulfinylethoxy)-3-quinolinyl]-1-butanone hydrochloride IUPAC Name: 1-[4-(2-methylanilino)-8-(2-methylsulfinylethoxy)quinolin-3-yl]butan-1-one hydrochloride Traditional Name: 1-[8-(2-methylsulfinylethoxy)-4-(o-toluidino)-3-quinolyl]butan-1-one hydrochloride Formula: C23H27ClN2O3S MolecularWeight: 446.99008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OCCS(=O)C.Cl

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3C)C=CC=C2OCCS(=O)C.Cl

InChI

InChI=1S/C23H26N2O3S.ClH/c1-4-8-20(26)18-15-24-23-17(10-7-12-21(23)28-13-14-29(3)27)22(18)25-19-11-6-5-9-16(19)2;/h5-7,9-12,15H,4,8,13-14H2,1-3H3,(H,24,25);1H