N-[2-(4-cyanophenyl)-1-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide

Systemtic Name: N-[2-(4-cyanophenyl)-1-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Openeye Name: N-[1-acetyl-2-(4-cyanophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide CAS Name: N-[1-acetyl-2-(4-cyanophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]-8-quinolinesulfonamide IUPAC Name: N-[1-acetyl-2-(4-cyanophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Traditional Name: N-[1-acetyl-2-(4-cyanophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]quinoline-8-sulfonamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C2=C(CCN1C3=CC=C(C=C3)C#N)C=CC(=C2)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC(=O)C1C2=C(CCN1C3=CC=C(C=C3)C#N)C=CC(=C2)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H22N4O3S/c1-18(32)27-24-16-22(30-35(33,34)25-6-2-4-21-5-3-14-29-26(21)25)10-9-20(24)13-15-31(27)23-11-7-19(17-28)8-12-23/h2-12,14,16,27,30H,13,15H2,1H3