[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 2-bromanyl-4,5-dimethoxy-benzenesulfonate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 2-bromanyl-4,5-dimethoxy-benzenesulfonate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 2-bromo-4,5-dimethoxy-benzenesulfonate CAS Name: 2-bromo-4,5-dimethoxybenzenesulfonic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 2-bromo-4,5-dimethoxybenzenesulfonate Traditional Name: 2-bromo-4,5-dimethoxy-benzenesulfonic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C18H18BrNO6S MolecularWeight: 456.30762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)OC2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

COC1=CC(=C(C=C1OC)Br)S(=O)(=O)OC2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C18H18BrNO6S/c1-24-15-10-14(19)17(11-16(15)25-2)27(22,23)26-13-7-5-12(6-8-13)20-9-3-4-18(20)21/h5-8,10-11H,3-4,9H2,1-2H3