(4-cyanophenyl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate

Systemtic Name: (4-cyanophenyl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate Openeye Name: (4-cyanophenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-(2-ketopyrrolidino)benzenesulfonic acid (4-cyanophenyl) ester Formula: C17H14N2O4S MolecularWeight: 342.36906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H14N2O4S/c18-12-13-3-7-15(8-4-13)23-24(21,22)16-9-5-14(6-10-16)19-11-1-2-17(19)20/h3-10H,1-2,11H2