3,5-dimethyl-N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,2-oxazole-4-sulfonamide

Systemtic Name: 3,5-dimethyl-N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,2-oxazole-4-sulfonamide Openeye Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,5-dimethyl-isoxazole-4-sulfonamide CAS Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,5-dimethyl-4-isoxazolesulfonamide IUPAC Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide Traditional Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C21H21N3O4S/c1-14-20(15(2)28-22-14)29(26,27)23-19-9-8-16-10-11-24(13-18(16)12-19)21(25)17-6-4-3-5-7-17/h3-9,12,23H,10-11,13H2,1-2H3