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

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-(diethylsulfamoyl)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate CAS Name: 2-chloro-5-(diethylsulfamoyl)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] 2-chloro-5-(diethylsulfamoyl)benzoate Traditional Name: 2-chloro-5-(diethylsulfamoyl)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C23H27ClN2O5S/c1-4-26(5-2)32(29,30)19-10-11-21(24)20(14-19)23(28)31-16(3)22(27)25-13-12-17-8-6-7-9-18(17)15-25/h6-11,14,16H,4-5,12-13,15H2,1-3H3