2-(4-fluorophenyl)sulfonyl-2-[3-(thiophen-2-ylmethylamino)quinoxalin-2-yl]ethanenitrile

Systemtic Name: 2-(4-fluorophenyl)sulfonyl-2-[3-(thiophen-2-ylmethylamino)quinoxalin-2-yl]ethanenitrile Openeye Name: 2-(4-fluorophenyl)sulfonyl-2-[3-(2-thienylmethylamino)quinoxalin-2-yl]acetonitrile CAS Name: 2-(4-fluorophenyl)sulfonyl-2-[3-(thiophen-2-ylmethylamino)-2-quinoxalinyl]acetonitrile IUPAC Name: 2-(4-fluorophenyl)sulfonyl-2-[3-(thiophen-2-ylmethylamino)quinoxalin-2-yl]acetonitrile Traditional Name: 2-(4-fluorophenyl)sulfonyl-2-[3-(2-thenylamino)quinoxalin-2-yl]acetonitrile Formula: C21H15FN4O2S2 MolecularWeight: 438.497803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NCC3=CC=CS3)C(C#N)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NCC3=CC=CS3)C(C#N)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FN4O2S2/c22-14-7-9-16(10-8-14)30(27,28)19(12-23)20-21(24-13-15-4-3-11-29-15)26-18-6-2-1-5-17(18)25-20/h1-11,19H,13H2,(H,24,26)