tert-butyl 4-(bromomethyl)-2-(3-fluorophenyl)sulfonyl-pyrrolidin-2-ide-1-carboxylate

Systemtic Name: tert-butyl 4-(bromomethyl)-2-(3-fluorophenyl)sulfonyl-pyrrolidin-2-ide-1-carboxylate Openeye Name: tert-butyl 4-(bromomethyl)-2-(3-fluorophenyl)sulfonyl-pyrrolidin-2-ide-1-carboxylate CAS Name: 4-(bromomethyl)-2-(3-fluorophenyl)sulfonyl-1-pyrrolidin-2-idecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(bromomethyl)-2-(3-fluorophenyl)sulfonylpyrrolidin-2-ide-1-carboxylate Traditional Name: 4-(bromomethyl)-2-(3-fluorophenyl)sulfonyl-pyrrolidin-2-ide-1-carboxylic acid tert-butyl ester Formula: C16H20BrFNO4S- MolecularWeight: 421.301703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C[C-]1S(=O)(=O)C2=CC=CC(=C2)F)CBr

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C[C-]1S(=O)(=O)C2=CC=CC(=C2)F)CBr

InChI

InChI=1S/C16H20BrFNO4S/c1-16(2,3)23-15(20)19-10-11(9-17)7-14(19)24(21,22)13-6-4-5-12(18)8-13/h4-6,8,11H,7,9-10H2,1-3H3/q-1