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

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [3-(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=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F)Cl

InChI

InChI=1S/C19H17ClF3NO4S/c20-16-7-6-14(11-17(16)29(26,27)24-8-1-2-9-24)18(25)28-12-13-4-3-5-15(10-13)19(21,22)23/h3-7,10-11H,1-2,8-9,12H2