[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-(methylsulfamoyl)benzoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 2-fluoro-5-(methylsulfamoyl)benzoate CAS Name: 2-fluoro-5-(methylsulfamoyl)benzoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-fluoro-5-(methylsulfamoyl)benzoate Traditional Name: 2-fluoro-5-(methylsulfamoyl)benzoic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC)F

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC)F

InChI

InChI=1S/C21H25FN2O5S/c1-21(2,3)24(13-15-8-6-5-7-9-15)19(25)14-29-20(26)17-12-16(10-11-18(17)22)30(27,28)23-4/h5-12,23H,13-14H2,1-4H3