3-(4-hydroxyphenyl)-2-(phenoxathiin-2-ylsulfonylamino)propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-(phenoxathiin-2-ylsulfonylamino)propanoic acid Openeye Name: 3-(4-hydroxyphenyl)-2-(phenoxathiin-2-ylsulfonylamino)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-(2-phenoxathiinylsulfonylamino)propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-(phenoxathiin-2-ylsulfonylamino)propanoic acid Traditional Name: 3-(4-hydroxyphenyl)-2-(phenoxathiin-2-ylsulfonylamino)propionic acid Formula: C21H17NO6S2 MolecularWeight: 443.49278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)S(=O)(=O)NC(CC4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)S(=O)(=O)NC(CC4=CC=C(C=C4)O)C(=O)O

InChI

InChI=1S/C21H17NO6S2/c23-14-7-5-13(6-8-14)11-16(21(24)25)22-30(26,27)15-9-10-18-20(12-15)29-19-4-2-1-3-17(19)28-18/h1-10,12,16,22-23H,11H2,(H,24,25)