2-(4-sulfamoylphenoxy)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: 2-(4-sulfamoylphenoxy)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: 2-(4-sulfamoylphenoxy)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid 2-(4-sulfamoylphenoxy)ethyl ester IUPAC Name: 2-(4-sulfamoylphenoxy)ethyl 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid 2-(4-sulfamoylphenoxy)ethyl ester Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCCOC3=CC=C(C=C3)S(=O)(=O)N)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCCOC3=CC=C(C=C3)S(=O)(=O)N)C#N

InChI

InChI=1S/C19H19N3O5S2/c1-28-18-16(11-20)15(10-17(22-18)12-2-3-12)19(23)27-9-8-26-13-4-6-14(7-5-13)29(21,24)25/h4-7,10,12H,2-3,8-9H2,1H3,(H2,21,24,25)