[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)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-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C29H28N4O6S MolecularWeight: 560.62082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H28N4O6S/c1-20-27(28(35)33(31(20)2)24-12-4-3-5-13-24)30-40(37,38)25-14-8-11-22(17-25)29(36)39-19-26(34)32-16-15-21-9-6-7-10-23(21)18-32/h3-14,17,30H,15-16,18-19H2,1-2H3