[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-fluoranyl-benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-fluorobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-fluoro-benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C15H18FN3O5S MolecularWeight: 371.383923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)N(C)CCC#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC(=O)N(C)CCC#N

InChI

InChI=1S/C15H18FN3O5S/c1-18(2)25(22,23)11-5-6-13(16)12(9-11)15(21)24-10-14(20)19(3)8-4-7-17/h5-6,9H,4,8,10H2,1-3H3