[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-methylbenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-methyl-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

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