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

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 4-[ethyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate CAS Name: 4-[ethyl(phenyl)sulfamoyl]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] 4-[ethyl(phenyl)sulfamoyl]benzoate Traditional Name: 4-[ethyl(phenyl)sulfamoyl]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H28N2O5S/c1-3-29(24-11-5-4-6-12-24)35(32,33)25-15-13-22(14-16-25)27(31)34-20(2)26(30)28-18-17-21-9-7-8-10-23(21)19-28/h4-16,20H,3,17-19H2,1-2H3