ethyl (2S)-1-[3,4,5-tris(chloranyl)-2-oxidanyl-phenyl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S)-1-[3,4,5-tris(chloranyl)-2-oxidanyl-phenyl]sulfonylpyrrolidine-2-carboxylate Openeye Name: ethyl (2S)-1-(3,4,5-trichloro-2-hydroxy-phenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(3,4,5-trichloro-2-hydroxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-(3,4,5-trichloro-2-hydroxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(3,4,5-trichloro-2-hydroxy-phenyl)sulfonylpyrrolidine-2-carboxylic acid ethyl ester Formula: C13H14Cl3NO5S MolecularWeight: 402.67796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1S(=O)(=O)C2=CC(=C(C(=C2O)Cl)Cl)Cl

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC(=C(C(=C2O)Cl)Cl)Cl

InChI

InChI=1S/C13H14Cl3NO5S/c1-2-22-13(19)8-4-3-5-17(8)23(20,21)9-6-7(14)10(15)11(16)12(9)18/h6,8,18H,2-5H2,1H3/t8-/m0/s1