pyrrolidin-3-yl 4-(2-oxidanylideneethyl)benzenesulfonate

Systemtic Name: pyrrolidin-3-yl 4-(2-oxidanylideneethyl)benzenesulfonate Openeye Name: pyrrolidin-3-yl 4-(2-oxoethyl)benzenesulfonate CAS Name: 4-(2-oxoethyl)benzenesulfonic acid 3-pyrrolidinyl ester IUPAC Name: pyrrolidin-3-yl 4-(2-oxoethyl)benzenesulfonate Traditional Name: 4-(2-ketoethyl)benzenesulfonic acid pyrrolidin-3-yl ester Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1OS(=O)(=O)C2=CC=C(C=C2)CC=O

Isomeric SMILES

C1CNCC1OS(=O)(=O)C2=CC=C(C=C2)CC=O

InChI

InChI=1S/C12H15NO4S/c14-8-6-10-1-3-12(4-2-10)18(15,16)17-11-5-7-13-9-11/h1-4,8,11,13H,5-7,9H2