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

Systemtic Name: 5-tert-butyl-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole Openeye Name: 5-tert-butyl-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole CAS Name: 5-tert-butyl-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole IUPAC Name: 5-tert-butyl-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-pyrrole Traditional Name: 5-tert-butyl-3-(4-fluorophenyl)-2-(4-mesylphenyl)-1H-pyrrole Formula: C21H22FNO2S MolecularWeight: 371.468283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC(=C(N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FNO2S/c1-21(2,3)19-13-18(14-5-9-16(22)10-6-14)20(23-19)15-7-11-17(12-8-15)26(4,24)25/h5-13,23H,1-4H3