methyl 1-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylate CAS Name: 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid methyl ester Formula: C13H13BrF3NO5S MolecularWeight: 432.21023

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1S(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

Isomeric SMILES

COC(=O)C1CCCN1S(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

InChI

InChI=1S/C13H13BrF3NO5S/c1-22-12(19)9-3-2-6-18(9)24(20,21)11-5-4-8(14)7-10(11)23-13(15,16)17/h4-5,7,9H,2-3,6H2,1H3