(4-bromanyl-2-ethanoyl-phenyl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate

Systemtic Name: (4-bromanyl-2-ethanoyl-phenyl) 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate Openeye Name: (2-acetyl-4-bromo-phenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate CAS Name: 4-(2-oxo-1-pyrrolidinyl)benzenesulfonic acid (2-acetyl-4-bromophenyl) ester IUPAC Name: (2-acetyl-4-bromophenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-(2-ketopyrrolidino)benzenesulfonic acid (2-acetyl-4-bromo-phenyl) ester Formula: C18H16BrNO5S MolecularWeight: 438.29234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)Br)OS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)Br)OS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C18H16BrNO5S/c1-12(21)16-11-13(19)4-9-17(16)25-26(23,24)15-7-5-14(6-8-15)20-10-2-3-18(20)22/h4-9,11H,2-3,10H2,1H3