methyl 7-chloranyl-3-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-oxidanylidene-1-phenyl-quinoline-2-carboxylate

Systemtic Name: methyl 7-chloranyl-3-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-oxidanylidene-1-phenyl-quinoline-2-carboxylate Openeye Name: methyl 7-chloro-3-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-oxo-1-phenyl-quinoline-2-carboxylate CAS Name: 7-chloro-3-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-oxo-1-phenyl-2-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 7-chloro-3-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-oxo-1-phenylquinoline-2-carboxylate Traditional Name: 7-chloro-3-[4-(2-hydroxyethylsulfonyl)benzyl]-4-keto-1-phenyl-quinaldic acid methyl ester Formula: C26H22ClNO6S MolecularWeight: 511.97398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=O)C2=C(N1C3=CC=CC=C3)C=C(C=C2)Cl)CC4=CC=C(C=C4)S(=O)(=O)CCO

Isomeric SMILES

COC(=O)C1=C(C(=O)C2=C(N1C3=CC=CC=C3)C=C(C=C2)Cl)CC4=CC=C(C=C4)S(=O)(=O)CCO

InChI

InChI=1S/C26H22ClNO6S/c1-34-26(31)24-22(15-17-7-10-20(11-8-17)35(32,33)14-13-29)25(30)21-12-9-18(27)16-23(21)28(24)19-5-3-2-4-6-19/h2-12,16,29H,13-15H2,1H3