(phenylmethyl) 1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate Openeye Name: benzyl 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid benzyl ester Formula: C19H17ClF3NO4S MolecularWeight: 447.85579

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H17ClF3NO4S/c20-15-9-8-14(19(21,22)23)11-17(15)29(26,27)24-10-4-7-16(24)18(25)28-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10,12H2