[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(diethylsulfamoyl)-2-fluorobenzoic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(diethylsulfamoyl)-2-fluoro-benzoic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-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)OCC(=O)NC2CCCC(C2C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)NC2CCCC(C2C)C

InChI

InChI=1S/C21H31FN2O5S/c1-5-24(6-2)30(27,28)16-10-11-18(22)17(12-16)21(26)29-13-20(25)23-19-9-7-8-14(3)15(19)4/h10-12,14-15,19H,5-9,13H2,1-4H3,(H,23,25)