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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate CAS Name: 4-methoxy-3-(methylsulfamoyl)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] 4-methoxy-3-(methylsulfamoyl)benzoate Traditional Name: 4-methoxy-3-(methylsulfamoyl)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)OC

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)OC

InChI

InChI=1S/C20H22N2O6S/c1-21-29(25,26)18-11-15(7-8-17(18)27-2)20(24)28-13-19(23)22-10-9-14-5-3-4-6-16(14)12-22/h3-8,11,21H,9-10,12-13H2,1-2H3