methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(furan-2-ylcarbonylamino)methyl]benzoate

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(furan-2-ylcarbonylamino)methyl]benzoate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(furan-2-carbonylamino)methyl]benzoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[[[2-furanyl(oxo)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(furan-2-carbonylamino)methyl]benzoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(2-furoylamino)methyl]benzoic acid methyl ester Formula: C22H20N2O8S MolecularWeight: 472.4678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CNC(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CNC(=O)C4=CC=CO4

InChI

InChI=1S/C22H20N2O8S/c1-29-22(26)15-9-14(13-23-21(25)19-3-2-6-30-19)10-16(11-15)24-33(27,28)17-4-5-18-20(12-17)32-8-7-31-18/h2-6,9-12,24H,7-8,13H2,1H3,(H,23,25)