2-[4-[(2-butyl-6-methylsulfonyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenoxy]-2-(2-chlorophenyl)ethanoic acid

Systemtic Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxidanylidene-quinazolin-3-yl)methyl]phenoxy]-2-(2-chlorophenyl)ethanoic acid Openeye Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxo-quinazolin-3-yl)methyl]phenoxy]-2-(2-chlorophenyl)acetic acid CAS Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxo-3-quinazolinyl)methyl]phenoxy]-2-(2-chlorophenyl)acetic acid IUPAC Name: 2-[4-[(2-butyl-6-methylsulfonyl-4-oxoquinazolin-3-yl)methyl]phenoxy]-2-(2-chlorophenyl)acetic acid Traditional Name: 2-[4-[(2-butyl-4-keto-6-mesyl-quinazolin-3-yl)methyl]phenoxy]-2-(2-chlorophenyl)acetic acid Formula: C28H27ClN2O6S MolecularWeight: 555.04178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C(C=C2)S(=O)(=O)C)C(=O)N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4Cl)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(C=C(C=C2)S(=O)(=O)C)C(=O)N1CC3=CC=C(C=C3)OC(C4=CC=CC=C4Cl)C(=O)O

InChI

InChI=1S/C28H27ClN2O6S/c1-3-4-9-25-30-24-15-14-20(38(2,35)36)16-22(24)27(32)31(25)17-18-10-12-19(13-11-18)37-26(28(33)34)21-7-5-6-8-23(21)29/h5-8,10-16,26H,3-4,9,17H2,1-2H3,(H,33,34)