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

Systemtic Name: 2-(4a,10a-dihydrophenoxathiin-2-ylsulfonylamino)-4-phenyl-butanoic acid Openeye Name: 2-(4a,10a-dihydrophenoxathiin-2-ylsulfonylamino)-4-phenyl-butanoic acid CAS Name: 2-(4a,10a-dihydrophenoxathiin-2-ylsulfonylamino)-4-phenylbutanoic acid IUPAC Name: 2-(4a,10a-dihydrophenoxathiin-2-ylsulfonylamino)-4-phenylbutanoic acid Traditional Name: 2-(4a,10a-dihydrophenoxathiin-2-ylsulfonylamino)-4-phenyl-butyric acid Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)NS(=O)(=O)C2=CC3C(C=C2)OC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)NS(=O)(=O)C2=CC3C(C=C2)OC4=CC=CC=C4S3

InChI

InChI=1S/C22H21NO5S2/c24-22(25)17(12-10-15-6-2-1-3-7-15)23-30(26,27)16-11-13-19-21(14-16)29-20-9-5-4-8-18(20)28-19/h1-9,11,13-14,17,19,21,23H,10,12H2,(H,24,25)