(4-tert-butylphenyl)methyl 5-(diethylsulfamoyl)-2-fluoranyl-benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 5-(diethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: (4-tert-butylphenyl)methyl 5-(diethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(diethylsulfamoyl)-2-fluorobenzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 5-(diethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(diethylsulfamoyl)-2-fluoro-benzoic acid (4-tert-butylbenzyl) ester Formula: C22H28FNO4S MolecularWeight: 421.525423

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H28FNO4S/c1-6-24(7-2)29(26,27)18-12-13-20(23)19(14-18)21(25)28-15-16-8-10-17(11-9-16)22(3,4)5/h8-14H,6-7,15H2,1-5H3