N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,3-thiazol-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,3-thiazol-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiazol-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-thiazolyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiazol-2-yl]-4-methyl-benzenesulfonamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H19N3O3S2/c1-14-6-8-17(9-7-14)28(25,26)22-20-21-18(13-27-20)19(24)23-11-10-15-4-2-3-5-16(15)12-23/h2-9,13H,10-12H2,1H3,(H,21,22)