(3-ethanoyl-2-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl) 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (3-ethanoyl-2-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl) 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: (3-acetyl-2-hydroxy-4-oxo-cyclohex-2-en-1-yl) 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (3-acetyl-2-hydroxy-4-oxo-1-cyclohex-2-enyl) ester IUPAC Name: (3-acetyl-2-hydroxy-4-oxocyclohex-2-en-1-yl) 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid (3-acetyl-2-hydroxy-4-keto-cyclohex-2-en-1-yl) ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OC3CCC(=O)C(=C3O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OC3CCC(=O)C(=C3O)C(=O)C

InChI

InChI=1S/C20H23NO7S/c1-12-5-7-14(8-6-12)29(26,27)21-11-3-4-15(21)20(25)28-17-10-9-16(23)18(13(2)22)19(17)24/h5-8,15,17,24H,3-4,9-11H2,1-2H3