ethyl 2-[(2-cyanoaziridin-1-yl)carbonylsulfamoyl]pyridine-4-carboxylate

Systemtic Name: ethyl 2-[(2-cyanoaziridin-1-yl)carbonylsulfamoyl]pyridine-4-carboxylate Openeye Name: ethyl 2-[(2-cyanoaziridine-1-carbonyl)sulfamoyl]pyridine-4-carboxylate CAS Name: 2-[[(2-cyano-1-aziridinyl)-oxomethyl]sulfamoyl]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-cyanoaziridine-1-carbonyl)sulfamoyl]pyridine-4-carboxylate Traditional Name: 2-[(2-cyanoethylenimine-1-carbonyl)sulfamoyl]isonicotinic acid ethyl ester Formula: C12H12N4O5S MolecularWeight: 324.31248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC=C1)S(=O)(=O)NC(=O)N2CC2C#N

Isomeric SMILES

CCOC(=O)C1=CC(=NC=C1)S(=O)(=O)NC(=O)N2CC2C#N

InChI

InChI=1S/C12H12N4O5S/c1-2-21-11(17)8-3-4-14-10(5-8)22(19,20)15-12(18)16-7-9(16)6-13/h3-5,9H,2,7H2,1H3,(H,15,18)