[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(2-phenylethenylsulfonylamino)benzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(2-phenylethenylsulfonylamino)benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 4-(styrylsulfonylamino)benzoate CAS Name: 4-(2-phenylethenylsulfonylamino)benzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-(2-phenylethenylsulfonylamino)benzoate Traditional Name: 4-(styrylsulfonylamino)benzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C=CC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O6S/c1-22(2,3)24-21(28)23-19(26)15-31-20(27)17-9-11-18(12-10-17)25-32(29,30)14-13-16-7-5-4-6-8-16/h4-14,25H,15H2,1-3H3,(H2,23,24,26,28)