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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-(phenylsulfamoyl)benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-(phenylsulfamoyl)benzoate CAS Name: 4-(phenylsulfamoyl)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-(phenylsulfamoyl)benzoate Traditional Name: 4-(phenylsulfamoyl)benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O5S/c27-23(26-15-14-18-6-4-5-7-20(18)16-26)17-31-24(28)19-10-12-22(13-11-19)32(29,30)25-21-8-2-1-3-9-21/h1-13,25H,14-17H2