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

Systemtic Name: methyl 3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate Openeye Name: methyl 3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate CAS Name: 3-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoylamino]benzoate Traditional Name: 3-[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(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

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

InChI

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