dimethyl 5-[[2-(5-azanyl-4-cyano-pyrazol-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[2-(5-azanyl-4-cyano-pyrazol-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(5-amino-4-cyano-pyrazol-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(5-amino-4-cyano-1-pyrazolyl)phenyl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(5-amino-4-cyano-pyrazol-1-yl)phenyl]sulfamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H17N5O6S MolecularWeight: 455.44388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=CC=C2N3C(=C(C=N3)C#N)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=CC=C2N3C(=C(C=N3)C#N)N)C(=O)OC

InChI

InChI=1S/C20H17N5O6S/c1-30-19(26)12-7-13(20(27)31-2)9-15(8-12)32(28,29)24-16-5-3-4-6-17(16)25-18(22)14(10-21)11-23-25/h3-9,11,24H,22H2,1-2H3