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

Systemtic Name: (2S)-2-[3-(cyclooctylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-ethanenitrile Openeye Name: (2S)-2-[3-(cyclooctylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-acetonitrile CAS Name: (2S)-2-[3-(cyclooctylamino)-2-quinoxalinyl]-2-(4-fluorophenyl)sulfonylacetonitrile IUPAC Name: (2S)-2-[3-(cyclooctylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonylacetonitrile Traditional Name: (2S)-2-[3-(cyclooctylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-acetonitrile Formula: C24H25FN4O2S MolecularWeight: 452.544303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCC(CCC1)NC2=NC3=CC=CC=C3N=C2[C@@H](C#N)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H25FN4O2S/c25-17-12-14-19(15-13-17)32(30,31)22(16-26)23-24(27-18-8-4-2-1-3-5-9-18)29-21-11-7-6-10-20(21)28-23/h6-7,10-15,18,22H,1-5,8-9H2,(H,27,29)/t22-/m1/s1