methyl 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxylate

Systemtic Name: methyl 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxylate Openeye Name: methyl 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxylate CAS Name: 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxylate Traditional Name: 2-(4-fluorophenyl)-1-(4-mesylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxylic acid methyl ester Formula: C22H20FNO4S MolecularWeight: 413.461903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C2N1CCC2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(C(=C2N1CCC2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20FNO4S/c1-28-22(25)21-20(15-5-9-16(23)10-6-15)19(18-4-3-13-24(18)21)14-7-11-17(12-8-14)29(2,26)27/h5-12H,3-4,13H2,1-2H3