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

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(diethylsulfamoyl)benzoate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 4-chloro-3-(diethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [(1R)-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=C(C=CC(=C1)C(=O)OC(C)C(=O)N2CCC3=CC=CC=C3C2)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O[C@H](C)C(=O)N2CCC3=CC=CC=C3C2)Cl

InChI

InChI=1S/C23H27ClN2O5S/c1-4-26(5-2)32(29,30)21-14-18(10-11-20(21)24)23(28)31-16(3)22(27)25-13-12-17-8-6-7-9-19(17)15-25/h6-11,14,16H,4-5,12-13,15H2,1-3H3/t16-/m1/s1