methyl 2-cyano-2-[3-(3-sulfamoylpiperidin-1-yl)quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-(3-sulfamoylpiperidin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-(3-sulfamoyl-1-piperidyl)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(3-sulfamoyl-1-piperidinyl)-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-(3-sulfamoylpiperidin-1-yl)quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-(3-sulfamoylpiperidino)quinoxalin-2-yl]acetic acid methyl ester Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC(C3)S(=O)(=O)N

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC(C3)S(=O)(=O)N

InChI

InChI=1S/C17H19N5O4S/c1-26-17(23)12(9-18)15-16(21-14-7-3-2-6-13(14)20-15)22-8-4-5-11(10-22)27(19,24)25/h2-3,6-7,11-12H,4-5,8,10H2,1H3,(H2,19,24,25)