[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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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)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H25N3O8S/c1-22(2,3)24-21(28)23-19(26)13-33-20(27)14-4-6-15(7-5-14)25-34(29,30)16-8-9-17-18(12-16)32-11-10-31-17/h4-9,12,25H,10-11,13H2,1-3H3,(H2,23,24,26,28)