[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 4-chloranyl-3-(trifluoromethyl)benzenesulfonate

Systemtic Name: [4-(2-oxidanylidenepyrrolidin-1-yl)phenyl] 4-chloranyl-3-(trifluoromethyl)benzenesulfonate Openeye Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 4-chloro-3-(trifluoromethyl)benzenesulfonate CAS Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid [4-(2-oxo-1-pyrrolidinyl)phenyl] ester IUPAC Name: [4-(2-oxopyrrolidin-1-yl)phenyl] 4-chloro-3-(trifluoromethyl)benzenesulfonate Traditional Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid [4-(2-ketopyrrolidino)phenyl] ester Formula: C17H13ClF3NO4S MolecularWeight: 419.80263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClF3NO4S/c18-15-8-7-13(10-14(15)17(19,20)21)27(24,25)26-12-5-3-11(4-6-12)22-9-1-2-16(22)23/h3-8,10H,1-2,9H2