methyl 1-(phenylsulfonyl)-5-(trifluoromethyl)-2H-pyrrole-5-carboxylate

Systemtic Name: methyl 1-(phenylsulfonyl)-5-(trifluoromethyl)-2H-pyrrole-5-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-5-(trifluoromethyl)-2H-pyrrole-5-carboxylate CAS Name: 1-(benzenesulfonyl)-5-(trifluoromethyl)-2H-pyrrole-5-carboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-5-(trifluoromethyl)-2H-pyrrole-5-carboxylate Traditional Name: 1-besyl-2-(trifluoromethyl)-3-pyrroline-2-carboxylic acid methyl ester Formula: C13H12F3NO4S MolecularWeight: 335.29889

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C=CCN1S(=O)(=O)C2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1(C=CCN1S(=O)(=O)C2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H12F3NO4S/c1-21-11(18)12(13(14,15)16)8-5-9-17(12)22(19,20)10-6-3-2-4-7-10/h2-8H,9H2,1H3