N-[6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,3-benzothiazol-2-yl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1,3-benzothiazol-2-yl]-4-methoxy-benzenesulfonamide Openeye Name: N-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-benzothiazol-2-yl]-4-methoxy-benzenesulfonamide CAS Name: N-[6-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1,3-benzothiazol-2-yl]-4-methoxybenzenesulfonamide IUPAC Name: N-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-benzothiazol-2-yl]-4-methoxybenzenesulfonamide Traditional Name: N-[6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-benzothiazol-2-yl]-4-methoxy-benzenesulfonamide Formula: C24H21N3O4S2 MolecularWeight: 479.57124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C24H21N3O4S2/c1-31-19-7-9-20(10-8-19)33(29,30)26-24-25-21-11-6-17(14-22(21)32-24)23(28)27-13-12-16-4-2-3-5-18(16)15-27/h2-11,14H,12-13,15H2,1H3,(H,25,26)