2-bromanyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfonyl-benzoic acid CAS Name: 2-bromo-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfonylbenzoic acid IUPAC Name: 2-bromo-5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(2-keto-2-pyrrolidino-ethyl)sulfonyl-benzoic acid Formula: C13H14BrNO5S MolecularWeight: 376.22296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)CS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H14BrNO5S/c14-11-4-3-9(7-10(11)13(17)18)21(19,20)8-12(16)15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H,17,18)