N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)quinoline-8-sulfonamide

Systemtic Name: N-(2-thiophen-2-ylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)quinoline-8-sulfonamide Openeye Name: N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide CAS Name: N-[2-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-8-quinolinesulfonamide IUPAC Name: N-[2-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Traditional Name: N-[2-(2-thenoyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C23H19N3O3S2/c27-23(20-6-3-13-30-20)26-12-10-16-8-9-19(14-18(16)15-26)25-31(28,29)21-7-1-4-17-5-2-11-24-22(17)21/h1-9,11,13-14,25H,10,12,15H2