[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-fluoranyl-benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-fluorobenzoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-fluoro-benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C16H22FN3O6S MolecularWeight: 403.425783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)F

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C)F

InChI

InChI=1S/C16H22FN3O6S/c1-5-10(2)18-16(23)19-14(21)9-26-15(22)12-8-11(6-7-13(12)17)27(24,25)20(3)4/h6-8,10H,5,9H2,1-4H3,(H2,18,19,21,23)/t10-/m0/s1