3-[2-[3-methoxy-5-(methylsulfonylamino)-4-oxidanyl-phenoxy]propanoylamino]-2-propyl-2H-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 3-[2-[3-methoxy-5-(methylsulfonylamino)-4-oxidanyl-phenoxy]propanoylamino]-2-propyl-2H-1,4-benzodioxine-3-carboxylic acid Openeye Name: 3-[2-[4-hydroxy-3-(methanesulfonamido)-5-methoxy-phenoxy]propanoylamino]-2-propyl-2H-1,4-benzodioxine-3-carboxylic acid CAS Name: 3-[[2-[4-hydroxy-3-(methanesulfonamido)-5-methoxyphenoxy]-1-oxopropyl]amino]-2-propyl-2H-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 3-[2-[4-hydroxy-3-(methanesulfonamido)-5-methoxyphenoxy]propanoylamino]-2-propyl-2H-1,4-benzodioxine-3-carboxylic acid Traditional Name: 3-[2-[4-hydroxy-3-(methanesulfonamido)-5-methoxy-phenoxy]propanoylamino]-2-propyl-2H-1,4-benzodioxin-3-carboxylic acid Formula: C23H28N2O10S MolecularWeight: 524.54082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(OC2=CC=CC=C2O1)(C(=O)O)NC(=O)C(C)OC3=CC(=C(C(=C3)NS(=O)(=O)C)O)OC

Isomeric SMILES

CCCC1C(OC2=CC=CC=C2O1)(C(=O)O)NC(=O)C(C)OC3=CC(=C(C(=C3)NS(=O)(=O)C)O)OC

InChI

InChI=1S/C23H28N2O10S/c1-5-8-19-23(22(28)29,35-17-10-7-6-9-16(17)34-19)24-21(27)13(2)33-14-11-15(25-36(4,30)31)20(26)18(12-14)32-3/h6-7,9-13,19,25-26H,5,8H2,1-4H3,(H,24,27)(H,28,29)