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

Systemtic Name: tert-butyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)pyrrole-1-carboxylate Openeye Name: tert-butyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)pyrrole-1-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)pyrrole-1-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(4-mesylphenyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C22H22FNO4S MolecularWeight: 415.477783

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO4S/c1-22(2,3)28-21(25)24-14-13-19(15-5-9-17(23)10-6-15)20(24)16-7-11-18(12-8-16)29(4,26)27/h5-14H,1-4H3