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

Systemtic Name: 3,5-dimethyl-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,2-oxazole-4-sulfonamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-isoxazole-4-sulfonamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-4-isoxazolesulfonamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,5-dimethyl-isoxazole-4-sulfonamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S2/c1-14-20(15(2)28-21-14)29(24,25)22-18-9-8-16-10-11-23(13-17(16)12-18)30(26,27)19-6-4-3-5-7-19/h3-9,12,22H,10-11,13H2,1-2H3