[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (2-keto-2-mesityl-ethyl) ester Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C27H27NO5S/c1-18-14-19(2)26(20(3)15-18)25(29)17-33-27(30)22-8-10-24(11-9-22)34(31,32)28-13-12-21-6-4-5-7-23(21)16-28/h4-11,14-15H,12-13,16-17H2,1-3H3