methyl 6-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: methyl 6-methylsulfonyl-5-[4-(trifluoromethyl)phenyl]carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 6-methylsulfonyl-5-[4-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 6-methylsulfonyl-5-[oxo-[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 6-methylsulfonyl-5-[4-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 6-mesyl-5-[4-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C18H16F3NO5S MolecularWeight: 415.38355

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C18H16F3NO5S/c1-27-17(24)12-7-8-22-13(12)9-14(28(2,25)26)15(22)16(23)10-3-5-11(6-4-10)18(19,20)21/h3-6,9,12H,7-8H2,1-2H3