[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-[(2-methoxyphenyl)sulfamoyl]-2-oxidanyl-benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 5-[(2-methoxyphenyl)sulfamoyl]-2-oxidanyl-benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate CAS Name: 2-hydroxy-5-[(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] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate Traditional Name: 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O7S/c1-33-23-9-5-4-8-21(23)26-35(31,32)19-10-11-22(28)20(14-19)25(30)34-16-24(29)27-13-12-17-6-2-3-7-18(17)15-27/h2-11,14,26,28H,12-13,15-16H2,1H3