[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H21NO5S/c1-27(24,25)14-15-5-4-8-17(11-15)20(23)26-13-19(22)21-10-9-16-6-2-3-7-18(16)12-21/h2-8,11H,9-10,12-14H2,1H3