(2,2-dimethyl-3H-1-benzofuran-7-yl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-(2-ketopyrrolidino)benzenesulfonic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C20H21NO5S MolecularWeight: 387.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O)C

InChI

InChI=1S/C20H21NO5S/c1-20(2)13-14-5-3-6-17(19(14)25-20)26-27(23,24)16-10-8-15(9-11-16)21-12-4-7-18(21)22/h3,5-6,8-11H,4,7,12-13H2,1-2H3