2-[[10,10-bis(oxidanylidene)-4a,10a-dihydrophenoxathiin-3-yl]sulfonylamino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[10,10-bis(oxidanylidene)-4a,10a-dihydrophenoxathiin-3-yl]sulfonylamino]-4-phenyl-butanoic acid Openeye Name: 2-[(10,10-dioxo-4a,10a-dihydrophenoxathiin-3-yl)sulfonylamino]-4-phenyl-butanoic acid CAS Name: 2-[(10,10-dioxo-4a,10a-dihydrophenoxathiin-3-yl)sulfonylamino]-4-phenylbutanoic acid IUPAC Name: 2-[(10,10-dioxo-4a,10a-dihydrophenoxathiin-3-yl)sulfonylamino]-4-phenylbutanoic acid Traditional Name: 2-[(10,10-diketo-4a,10a-dihydrophenoxathiin-3-yl)sulfonylamino]-4-phenyl-butyric acid Formula: C22H21NO7S2 MolecularWeight: 475.53464

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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)S(=O)(=O)C4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)NS(=O)(=O)C2=CC3C(C=C2)S(=O)(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C22H21NO7S2/c24-22(25)17(12-10-15-6-2-1-3-7-15)23-32(28,29)16-11-13-21-19(14-16)30-18-8-4-5-9-20(18)31(21,26)27/h1-9,11,13-14,17,19,21,23H,10,12H2,(H,24,25)