ethyl 4-[3-(methylsulfonylamino)phenyl]-2-oxidanylidene-6-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-[3-(methylsulfonylamino)phenyl]-2-oxidanylidene-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-[3-(methanesulfonamido)phenyl]-2-oxo-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: 4-[3-(methanesulfonamido)phenyl]-2-oxo-6-phenyl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(methanesulfonamido)phenyl]-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: 2-keto-4-[3-(methanesulfonamido)phenyl]-6-phenyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO5S/c1-3-28-22(25)21-19(15-8-5-4-6-9-15)13-17(14-20(21)24)16-10-7-11-18(12-16)23-29(2,26)27/h4-12,14,19,21,23H,3,13H2,1-2H3