methyl (4aS,8aR)-6,7-dimethyl-2-oxidanylidene-1-(2,4,6-trimethylphenyl)sulfonyl-8,8a-dihydro-5H-quinoline-4a-carboxylate

Systemtic Name: methyl (4aS,8aR)-6,7-dimethyl-2-oxidanylidene-1-(2,4,6-trimethylphenyl)sulfonyl-8,8a-dihydro-5H-quinoline-4a-carboxylate Openeye Name: methyl (4aS,8aR)-6,7-dimethyl-2-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-8,8a-dihydro-5H-quinoline-4a-carboxylate CAS Name: (4aS,8aR)-6,7-dimethyl-2-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-8,8a-dihydro-5H-quinoline-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aS,8aR)-6,7-dimethyl-2-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-8,8a-dihydro-5H-quinoline-4a-carboxylate Traditional Name: (4aS,8aR)-2-keto-1-mesitylsulfonyl-6,7-dimethyl-8,8a-dihydro-5H-quinoline-4a-carboxylic acid methyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC2(C=CC(=O)N(C2C1)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C(=O)OC)C

Isomeric SMILES

CC1=C(C[C@@]2(C=CC(=O)N([C@@H]2C1)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C(=O)OC)C

InChI

InChI=1S/C22H27NO5S/c1-13-9-15(3)20(16(4)10-13)29(26,27)23-18-11-14(2)17(5)12-22(18,21(25)28-6)8-7-19(23)24/h7-10,18H,11-12H2,1-6H3/t18-,22-/m1/s1