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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H31N3O8S MolecularWeight: 485.55114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C21H31N3O8S/c1-21(2,3)24-20(27)23-18(25)14-32-19(26)7-5-4-6-10-22-33(28,29)15-8-9-16-17(13-15)31-12-11-30-16/h8-9,13,22H,4-7,10-12,14H2,1-3H3,(H2,23,24,25,27)