3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzenesulfonamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzenesulfonamide Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)benzenesulfonamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)benzenesulfonamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenesulfonamide Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)benzenesulfonamide Formula: C27H26N4O4S MolecularWeight: 502.58474

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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)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)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H26N4O4S/c1-19-25(27(33)31(29(19)2)23-12-4-3-5-13-23)28-36(34,35)24-14-8-11-21(17-24)26(32)30-16-15-20-9-6-7-10-22(20)18-30/h3-14,17,28H,15-16,18H2,1-2H3