methyl 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]methyl]benzoic acid methyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7S/c1-26-20(23)15-4-2-14(3-5-15)13-21-19(22)8-11-29(24,25)16-6-7-17-18(12-16)28-10-9-27-17/h2-7,12H,8-11,13H2,1H3,(H,21,22)