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

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 3-(ethylsulfamoyl)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 3-(ethylsulfamoyl)benzoate CAS Name: 3-(ethylsulfamoyl)benzoic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 3-(ethylsulfamoyl)benzoate Traditional Name: 3-(ethylsulfamoyl)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H24N2O5S/c1-3-22-29(26,27)19-10-6-9-17(13-19)21(25)28-15(2)20(24)23-12-11-16-7-4-5-8-18(16)14-23/h4-10,13,15,22H,3,11-12,14H2,1-2H3