tert-butyl 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-1-carboxylate CAS Name: 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-1-carboxylate Traditional Name: 4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H21BrF3NO4S MolecularWeight: 472.31715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CBr

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CBr

InChI

InChI=1S/C17H21BrF3NO4S/c1-16(2,3)26-15(23)22-10-11(9-18)7-14(22)27(24,25)13-6-4-5-12(8-13)17(19,20)21/h4-6,8,11,14H,7,9-10H2,1-3H3