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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate CAS Name: 3-[(2-methoxyphenyl)sulfamoyl]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] 3-[(2-methoxyphenyl)sulfamoyl]benzoate Traditional Name: 3-[(2-methoxyphenyl)sulfamoyl]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H24N2O6S/c1-32-23-12-5-4-11-22(23)26-34(30,31)21-10-6-9-19(15-21)25(29)33-17-24(28)27-14-13-18-7-2-3-8-20(18)16-27/h2-12,15,26H,13-14,16-17H2,1H3