methyl 2-cyano-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-(2-fluorophenyl)sulfonylpiperazino]quinoxalin-2-yl]acetic acid methyl ester Formula: C22H20FN5O4S MolecularWeight: 469.488703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H20FN5O4S/c1-32-22(29)15(14-24)20-21(26-18-8-4-3-7-17(18)25-20)27-10-12-28(13-11-27)33(30,31)19-9-5-2-6-16(19)23/h2-9,15H,10-13H2,1H3