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

Systemtic Name: (2R)-2-[3-(cyclohexylmethylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-ethanenitrile Openeye Name: (2R)-2-[3-(cyclohexylmethylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-acetonitrile CAS Name: (2R)-2-[3-(cyclohexylmethylamino)-2-quinoxalinyl]-2-(4-fluorophenyl)sulfonylacetonitrile IUPAC Name: (2R)-2-[3-(cyclohexylmethylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonylacetonitrile Traditional Name: (2R)-2-[3-(cyclohexylmethylamino)quinoxalin-2-yl]-2-(4-fluorophenyl)sulfonyl-acetonitrile Formula: C23H23FN4O2S MolecularWeight: 438.517723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)CNC2=NC3=CC=CC=C3N=C2[C@H](C#N)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O2S/c24-17-10-12-18(13-11-17)31(29,30)21(14-25)22-23(26-15-16-6-2-1-3-7-16)28-20-9-5-4-8-19(20)27-22/h4-5,8-13,16,21H,1-3,6-7,15H2,(H,26,28)/t21-/m0/s1