[1-(tert-butylamino)-3-(4-fluorophenyl)sulfonyl-2-methyl-1-oxidanylidene-propan-2-yl] benzoate

Systemtic Name: [1-(tert-butylamino)-3-(4-fluorophenyl)sulfonyl-2-methyl-1-oxidanylidene-propan-2-yl] benzoate Openeye Name: [2-(tert-butylamino)-1-[(4-fluorophenyl)sulfonylmethyl]-1-methyl-2-oxo-ethyl] benzoate CAS Name: benzoic acid [1-(tert-butylamino)-3-(4-fluorophenyl)sulfonyl-2-methyl-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-3-(4-fluorophenyl)sulfonyl-2-methyl-1-oxopropan-2-yl] benzoate Traditional Name: benzoic acid [2-(tert-butylamino)-1-[(4-fluorophenyl)sulfonylmethyl]-2-keto-1-methyl-ethyl] ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C)(CS(=O)(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)C(C)(CS(=O)(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H24FNO5S/c1-20(2,3)23-19(25)21(4,28-18(24)15-8-6-5-7-9-15)14-29(26,27)17-12-10-16(22)11-13-17/h5-13H,14H2,1-4H3,(H,23,25)