[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(diethylsulfamoyl)-4-fluoranyl-benzoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(diethylsulfamoyl)-4-fluoro-benzoate CAS Name: 3-(diethylsulfamoyl)-4-fluorobenzoic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate Traditional Name: 3-(diethylsulfamoyl)-4-fluoro-benzoic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H27FN2O5S MolecularWeight: 438.512883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N(CC)CC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N(CC)CC)C

InChI

InChI=1S/C21H27FN2O5S/c1-6-23(7-2)30(27,28)20-12-16(9-10-18(20)22)21(26)29-13-19(25)17-11-14(4)24(8-3)15(17)5/h9-12H,6-8,13H2,1-5H3