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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-(ethylsulfamoyl)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-(ethylsulfamoyl)benzoate CAS Name: 4-(ethylsulfamoyl)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-(ethylsulfamoyl)benzoate Traditional Name: 4-(ethylsulfamoyl)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-2-21-28(25,26)18-9-7-16(8-10-18)20(24)27-14-19(23)22-12-11-15-5-3-4-6-17(15)13-22/h3-10,21H,2,11-14H2,1H3