ethyl 2-oxidanylidene-1-[2-oxidanyl-5-(phenylsulfonylamino)phenyl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-1-[2-oxidanyl-5-(phenylsulfonylamino)phenyl]cyclohexane-1-carboxylate Openeye Name: ethyl 1-[5-(benzenesulfonamido)-2-hydroxy-phenyl]-2-oxo-cyclohexanecarboxylate CAS Name: 1-[5-(benzenesulfonamido)-2-hydroxyphenyl]-2-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(benzenesulfonamido)-2-hydroxyphenyl]-2-oxocyclohexane-1-carboxylate Traditional Name: 1-[5-(benzenesulfonamido)-2-hydroxy-phenyl]-2-keto-cyclohexanecarboxylic acid ethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCC1=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1(CCCCC1=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H23NO6S/c1-2-28-20(25)21(13-7-6-10-19(21)24)17-14-15(11-12-18(17)23)22-29(26,27)16-8-4-3-5-9-16/h3-5,8-9,11-12,14,22-23H,2,6-7,10,13H2,1H3