1-[4-[(2-chlorophenyl)amino]-8-(3-methylsulfinylpropoxy)quinolin-3-yl]butan-1-one

Systemtic Name: 1-[4-[(2-chlorophenyl)amino]-8-(3-methylsulfinylpropoxy)quinolin-3-yl]butan-1-one Openeye Name: 1-[4-(2-chloroanilino)-8-(3-methylsulfinylpropoxy)-3-quinolyl]butan-1-one CAS Name: 1-[4-(2-chloroanilino)-8-(3-methylsulfinylpropoxy)-3-quinolinyl]-1-butanone IUPAC Name: 1-[4-(2-chloroanilino)-8-(3-methylsulfinylpropoxy)quinolin-3-yl]butan-1-one Traditional Name: 1-[4-(2-chloroanilino)-8-(3-methylsulfinylpropoxy)-3-quinolyl]butan-1-one Formula: C23H25ClN2O3S MolecularWeight: 444.9742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3Cl)C=CC=C2OCCCS(=O)C

Isomeric SMILES

CCCC(=O)C1=CN=C2C(=C1NC3=CC=CC=C3Cl)C=CC=C2OCCCS(=O)C

InChI

InChI=1S/C23H25ClN2O3S/c1-3-8-20(27)17-15-25-23-16(22(17)26-19-11-5-4-10-18(19)24)9-6-12-21(23)29-13-7-14-30(2)28/h4-6,9-12,15H,3,7-8,13-14H2,1-2H3,(H,25,26)