[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(diethylsulfamoyl)-2-fluorobenzoic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(diethylsulfamoyl)-2-fluoro-benzoic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H29FN2O5S MolecularWeight: 452.539463

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)C2=C(N(C(=C2)C)C(C)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)C2=C(N(C(=C2)C)C(C)C)C

InChI

InChI=1S/C22H29FN2O5S/c1-7-24(8-2)31(28,29)17-9-10-20(23)19(12-17)22(27)30-13-21(26)18-11-15(5)25(14(3)4)16(18)6/h9-12,14H,7-8,13H2,1-6H3