2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]acetonitrile CAS Name: 2-(benzenesulfonyl)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]acetonitrile Traditional Name: 2-besyl-2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)quinoxalin-2-yl]acetonitrile Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4O2S/c26-16-23(32(30,31)20-10-2-1-3-11-20)24-25(28-22-13-7-6-12-21(22)27-24)29-15-14-18-8-4-5-9-19(18)17-29/h1-13,23H,14-15,17H2