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

Systemtic Name: (2-acetamidophenyl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate Openeye Name: (2-acetamidophenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid (2-acetamidophenyl) ester IUPAC Name: (2-acetamidophenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-(2-ketopyrrolidino)benzenesulfonic acid (2-acetamidophenyl) ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C18H18N2O5S/c1-13(21)19-16-5-2-3-6-17(16)25-26(23,24)15-10-8-14(9-11-15)20-12-4-7-18(20)22/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,21)