methyl 4-[2-[[3-(tert-butylsulfamoyl)-4-fluoranyl-phenyl]carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[[3-(tert-butylsulfamoyl)-4-fluoranyl-phenyl]carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[3-(tert-butylsulfamoyl)-4-fluoro-benzoyl]amino]ethyl]benzoate CAS Name: 4-[2-[[[3-(tert-butylsulfamoyl)-4-fluorophenyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[3-(tert-butylsulfamoyl)-4-fluorobenzoyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[3-(tert-butylsulfamoyl)-4-fluoro-benzoyl]amino]ethyl]benzoic acid methyl ester Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCCC2=CC=C(C=C2)C(=O)OC)F

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=C(C=CC(=C1)C(=O)NCCC2=CC=C(C=C2)C(=O)OC)F

InChI

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