2-[[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]sulfonylmethyl]-2-oxidanyl-3-phenoxy-propanoic acid

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]sulfonylmethyl]-2-oxidanyl-3-phenoxy-propanoic acid Openeye Name: 2-[[4-(1,3-benzodioxole-5-carbonylamino)phenyl]sulfonylmethyl]-2-hydroxy-3-phenoxy-propanoic acid CAS Name: 2-[[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]sulfonylmethyl]-2-hydroxy-3-phenoxypropanoic acid IUPAC Name: 2-[[4-(1,3-benzodioxole-5-carbonylamino)phenyl]sulfonylmethyl]-2-hydroxy-3-phenoxypropanoic acid Traditional Name: 2-hydroxy-2-(phenoxymethyl)-3-[4-(piperonyloylamino)phenyl]sulfonyl-propionic acid Formula: C24H21NO9S MolecularWeight: 499.48984

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)CC(COC4=CC=CC=C4)(C(=O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)CC(COC4=CC=CC=C4)(C(=O)O)O

InChI

InChI=1S/C24H21NO9S/c26-22(16-6-11-20-21(12-16)34-15-33-20)25-17-7-9-19(10-8-17)35(30,31)14-24(29,23(27)28)13-32-18-4-2-1-3-5-18/h1-12,29H,13-15H2,(H,25,26)(H,27,28)