2-[8-chloranyl-1,4-dimethyl-3-[(4-methylsulfonylphenyl)methyl]-2-oxidanylidene-quinolin-5-yl]oxyethanoic acid

Systemtic Name: 2-[8-chloranyl-1,4-dimethyl-3-[(4-methylsulfonylphenyl)methyl]-2-oxidanylidene-quinolin-5-yl]oxyethanoic acid Openeye Name: 2-[[8-chloro-1,4-dimethyl-3-[(4-methylsulfonylphenyl)methyl]-2-oxo-5-quinolyl]oxy]acetic acid CAS Name: 2-[[8-chloro-1,4-dimethyl-3-[(4-methylsulfonylphenyl)methyl]-2-oxo-5-quinolinyl]oxy]acetic acid IUPAC Name: 2-[8-chloro-1,4-dimethyl-3-[(4-methylsulfonylphenyl)methyl]-2-oxoquinolin-5-yl]oxyacetic acid Traditional Name: 2-[[8-chloro-2-keto-3-(4-mesylbenzyl)-1,4-dimethyl-5-quinolyl]oxy]acetic acid Formula: C21H20ClNO6S MolecularWeight: 449.9046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C2=C(C=CC(=C12)OCC(=O)O)Cl)C)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N(C2=C(C=CC(=C12)OCC(=O)O)Cl)C)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H20ClNO6S/c1-12-15(10-13-4-6-14(7-5-13)30(3,27)28)21(26)23(2)20-16(22)8-9-17(19(12)20)29-11-18(24)25/h4-9H,10-11H2,1-3H3,(H,24,25)