[2-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate

Systemtic Name: [2-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-ethyl] 2,4-dimethylquinoline-3-carboxylate Openeye Name: [2-[4-(methanesulfonamido)phenyl]-2-oxo-ethyl] 2,4-dimethylquinoline-3-carboxylate CAS Name: 2,4-dimethyl-3-quinolinecarboxylic acid [2-[4-(methanesulfonamido)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(methanesulfonamido)phenyl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate Traditional Name: 2,4-dimethylquinoline-3-carboxylic acid [2-keto-2-[4-(methanesulfonamido)phenyl]ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C)C(=O)OCC(=O)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C21H20N2O5S/c1-13-17-6-4-5-7-18(17)22-14(2)20(13)21(25)28-12-19(24)15-8-10-16(11-9-15)23-29(3,26)27/h4-11,23H,12H2,1-3H3