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

Systemtic Name: 2-[3-(cyclopentylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-ethanenitrile Openeye Name: 2-[3-(cyclopentylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-acetonitrile CAS Name: 2-[3-(cyclopentylamino)-2-quinoxalinyl]-2-(4-fluorophenyl)sulfonylacetonitrile IUPAC Name: 2-[3-(cyclopentylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonylacetonitrile Traditional Name: 2-[3-(cyclopentylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-acetonitrile Formula: C21H19FN4O2S MolecularWeight: 410.464563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(C1)NC2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN4O2S/c22-14-9-11-16(12-10-14)29(27,28)19(13-23)20-21(24-15-5-1-2-6-15)26-18-8-4-3-7-17(18)25-20/h3-4,7-12,15,19H,1-2,5-6H2,(H,24,26)