2-bromanyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[4-(2-oxopyrrolidin-1-yl)phenoxy]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[4-(2-oxo-1-pyrrolidinyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 2-bromo-5-[4-(2-oxopyrrolidin-1-yl)phenoxy]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[4-(2-ketopyrrolidino)phenoxy]sulfonyl-benzoic acid Formula: C17H14BrNO6S MolecularWeight: 440.26516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C17H14BrNO6S/c18-15-8-7-13(10-14(15)17(21)22)26(23,24)25-12-5-3-11(4-6-12)19-9-1-2-16(19)20/h3-8,10H,1-2,9H2,(H,21,22)