2-(phenoxathiin-2-ylsulfonylamino)-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-(phenoxathiin-2-ylsulfonylamino)-3-phenylmethoxy-propanoic acid Openeye Name: 3-benzyloxy-2-(phenoxathiin-2-ylsulfonylamino)propanoic acid CAS Name: 2-(2-phenoxathiinylsulfonylamino)-3-phenylmethoxypropanoic acid IUPAC Name: 2-(phenoxathiin-2-ylsulfonylamino)-3-phenylmethoxypropanoic acid Traditional Name: 3-benzoxy-2-(phenoxathiin-2-ylsulfonylamino)propionic acid Formula: C22H19NO6S2 MolecularWeight: 457.51936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)COCC(C(=O)O)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3

InChI

InChI=1S/C22H19NO6S2/c24-22(25)17(14-28-13-15-6-2-1-3-7-15)23-31(26,27)16-10-11-19-21(12-16)30-20-9-5-4-8-18(20)29-19/h1-12,17,23H,13-14H2,(H,24,25)