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

Systemtic Name: methyl 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate CAS Name: 4-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate Traditional Name: 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoic acid methyl ester Formula: C19H19NO7S MolecularWeight: 405.42166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO7S/c1-25-19(22)13-2-4-14(5-3-13)20-18(21)8-11-28(23,24)15-6-7-16-17(12-15)27-10-9-26-16/h2-7,12H,8-11H2,1H3,(H,20,21)