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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H25N3O8S/c1-14(2)12-23-22(28)24-20(26)13-33-21(27)16-5-3-4-6-17(16)25-34(29,30)15-7-8-18-19(11-15)32-10-9-31-18/h3-8,11,14,25H,9-10,12-13H2,1-2H3,(H2,23,24,26,28)