3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methylisoxazol-3-yl)benzenesulfonamide CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-N-(5-methyl-3-isoxazolyl)benzenesulfonamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(5-methylisoxazol-3-yl)benzenesulfonamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=NO1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H19N3O4S/c1-14-11-19(21-27-14)22-28(25,26)18-8-4-7-16(12-18)20(24)23-10-9-15-5-2-3-6-17(15)13-23/h2-8,11-12H,9-10,13H2,1H3,(H,21,22)