methyl 2-cyano-2-[3-[4-(methylsulfonylamino)piperidin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[4-(methylsulfonylamino)piperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[4-(methanesulfonamido)-1-piperidyl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-(methanesulfonamido)-1-piperidinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[4-(methanesulfonamido)piperidin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-(methanesulfonamido)piperidino]quinoxalin-2-yl]acetic acid methyl ester Formula: C18H21N5O4S MolecularWeight: 403.45544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)NS(=O)(=O)C

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)NS(=O)(=O)C

InChI

InChI=1S/C18H21N5O4S/c1-27-18(24)13(11-19)16-17(21-15-6-4-3-5-14(15)20-16)23-9-7-12(8-10-23)22-28(2,25)26/h3-6,12-13,22H,7-10H2,1-2H3