ethyl 5-[3-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]sulfonyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[3-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]sulfonyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[3-(2-oxopyrrolidin-1-yl)phenoxy]sulfonyl-1H-pyrazole-4-carboxylate CAS Name: 5-[3-(2-oxo-1-pyrrolidinyl)phenoxy]sulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(2-oxopyrrolidin-1-yl)phenoxy]sulfonyl-1H-pyrazole-4-carboxylate Traditional Name: 5-[3-(2-ketopyrrolidino)phenoxy]sulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C16H17N3O6S MolecularWeight: 379.38768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)OC2=CC=CC(=C2)N3CCCC3=O

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)OC2=CC=CC(=C2)N3CCCC3=O

InChI

InChI=1S/C16H17N3O6S/c1-2-24-16(21)13-10-17-18-15(13)26(22,23)25-12-6-3-5-11(9-12)19-8-4-7-14(19)20/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,17,18)