tert-butyl 2-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[4-(difluoromethylsulfonyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-(difluoromethylsulfonyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(difluoromethylsulfonyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[4-(difluoromethylsulfonyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H22F2N2O5S MolecularWeight: 404.428786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)C(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=CC=C(C=C2)S(=O)(=O)C(F)F

InChI

InChI=1S/C17H22F2N2O5S/c1-17(2,3)26-16(23)21-10-4-5-13(21)14(22)20-11-6-8-12(9-7-11)27(24,25)15(18)19/h6-9,13,15H,4-5,10H2,1-3H3,(H,20,22)