3-[(2R)-2-aminocarbonylpyrrolidin-1-yl]sulfonyl-4-bromanyl-benzoate

Systemtic Name: 3-[(2R)-2-aminocarbonylpyrrolidin-1-yl]sulfonyl-4-bromanyl-benzoate Openeye Name: 4-bromo-3-[(2R)-2-carbamoylpyrrolidin-1-yl]sulfonyl-benzoate CAS Name: 4-bromo-3-[[(2R)-2-carbamoyl-1-pyrrolidinyl]sulfonyl]benzoate IUPAC Name: 4-bromo-3-[(2R)-2-carbamoylpyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-bromo-3-[(2R)-2-carbamoylpyrrolidino]sulfonyl-benzoate Formula: C12H12BrN2O5S- MolecularWeight: 376.20308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])Br)C(=O)N

Isomeric SMILES

C1C[C@@H](N(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])Br)C(=O)N

InChI

InChI=1S/C12H13BrN2O5S/c13-8-4-3-7(12(17)18)6-10(8)21(19,20)15-5-1-2-9(15)11(14)16/h3-4,6,9H,1-2,5H2,(H2,14,16)(H,17,18)/p-1/t9-/m1/s1