[2-(trifluoromethyl)phenyl]methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-(trifluoromethyl)benzyl] ester Formula: C19H17ClF3NO4S MolecularWeight: 447.85579

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3C(F)(F)F)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3C(F)(F)F)Cl

InChI

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