[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(diethylsulfamoyl)-2-fluorobenzoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 5-(diethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(diethylsulfamoyl)-2-fluoro-benzoic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H31FN2O5S MolecularWeight: 442.544643

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OC(C)C(=O)NC2CCCCCC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OC(C)C(=O)NC2CCCCCC2

InChI

InChI=1S/C21H31FN2O5S/c1-4-24(5-2)30(27,28)17-12-13-19(22)18(14-17)21(26)29-15(3)20(25)23-16-10-8-6-7-9-11-16/h12-16H,4-11H2,1-3H3,(H,23,25)