[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(diethylsulfamoyl)-2-fluorobenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(diethylsulfamoyl)-2-fluoro-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H25FN2O5S/c1-3-25(4-2)31(28,29)18-9-10-20(23)19(13-18)22(27)30-15-21(26)24-12-11-16-7-5-6-8-17(16)14-24/h5-10,13H,3-4,11-12,14-15H2,1-2H3