2-(4-fluorophenyl)sulfonyl-2-[3-(2-pyridin-3-ylethylamino)quinoxalin-2-yl]ethanenitrile

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-2-[3-(2-pyridin-3-ylethylamino)quinoxalin-2-yl]ethanenitrile Openeye Name: 2-(4-fluorophenyl)sulfonyl-2-[3-[2-(3-pyridyl)ethylamino]quinoxalin-2-yl]acetonitrile CAS Name: 2-(4-fluorophenyl)sulfonyl-2-[3-[2-(3-pyridinyl)ethylamino]-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(4-fluorophenyl)sulfonyl-2-[3-(2-pyridin-3-ylethylamino)quinoxalin-2-yl]acetonitrile Traditional Name: 2-(4-fluorophenyl)sulfonyl-2-[3-[2-(3-pyridyl)ethylamino]quinoxalin-2-yl]acetonitrile Formula: C23H18FN5O2S MolecularWeight: 447.484723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NCCC3=CN=CC=C3)C(C#N)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NCCC3=CN=CC=C3)C(C#N)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H18FN5O2S/c24-17-7-9-18(10-8-17)32(30,31)21(14-25)22-23(27-13-11-16-4-3-12-26-15-16)29-20-6-2-1-5-19(20)28-22/h1-10,12,15,21H,11,13H2,(H,27,29)