[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C17H25FN2O5S MolecularWeight: 388.454203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25FN2O5S/c1-11(2)5-4-6-12(3)20-16(21)10-25-17(22)14-9-13(26(19,23)24)7-8-15(14)18/h7-9,11-12H,4-6,10H2,1-3H3,(H,20,21)(H2,19,23,24)