tert-butyl 5-bromanyl-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)pyrrole-1-carboxylate Openeye Name: tert-butyl 5-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)pyrrole-1-carboxylate CAS Name: 5-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)pyrrole-1-carboxylate Traditional Name: 5-bromo-3-(4-fluorophenyl)-2-(4-mesylphenyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C22H21BrFNO4S MolecularWeight: 494.373843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC(=C1C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC(=C1C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)Br

InChI

InChI=1S/C22H21BrFNO4S/c1-22(2,3)29-21(26)25-19(23)13-18(14-5-9-16(24)10-6-14)20(25)15-7-11-17(12-8-15)30(4,27)28/h5-13H,1-4H3