3-(1,3-benzodioxol-5-yl)-3-oxidanyl-2-[(4-phenoxyphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-oxidanyl-2-[(4-phenoxyphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-hydroxy-2-[(4-phenoxyphenyl)sulfonylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-hydroxy-2-[(4-phenoxyphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-hydroxy-2-[(4-phenoxyphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-hydroxy-2-[(4-phenoxyphenyl)sulfonylamino]propionic acid Formula: C22H19NO8S MolecularWeight: 457.45316

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)O

InChI

InChI=1S/C22H19NO8S/c24-21(14-6-11-18-19(12-14)30-13-29-18)20(22(25)26)23-32(27,28)17-9-7-16(8-10-17)31-15-4-2-1-3-5-15/h1-12,20-21,23-24H,13H2,(H,25,26)