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

Systemtic Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-2-phenyl-ethanoic acid Openeye Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-2-phenyl-acetic acid CAS Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-2-phenylacetic acid IUPAC Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-2-phenylacetic acid Traditional Name: 2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-2-phenyl-acetic acid Formula: C20H17NO5S2 MolecularWeight: 415.48268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO5S2/c22-20(23)19(13-6-2-1-3-7-13)21-28(24,25)14-10-11-18-16(12-14)26-15-8-4-5-9-17(15)27-18/h1-12,16,18-19,21H,(H,22,23)