2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-phenyl-propanoic acid Openeye Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-phenyl-propanoic acid CAS Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-phenylpropanoic acid IUPAC Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-phenylpropanoic acid Traditional Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-phenyl-propionic acid Formula: C21H19NO5S2 MolecularWeight: 429.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC3C(C=C2)SC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC3C(C=C2)SC4=CC=CC=C4O3

InChI

InChI=1S/C21H19NO5S2/c23-21(24)16(12-14-6-2-1-3-7-14)22-29(25,26)15-10-11-20-18(13-15)27-17-8-4-5-9-19(17)28-20/h1-11,13,16,18,20,22H,12H2,(H,23,24)