2-[[4-(4-fluoranylphenoxy)phenyl]sulfonylamino]-2-(hydroxymethyl)pent-4-enoic acid

Systemtic Name: 2-[[4-(4-fluoranylphenoxy)phenyl]sulfonylamino]-2-(hydroxymethyl)pent-4-enoic acid Openeye Name: 2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-2-(hydroxymethyl)pent-4-enoic acid CAS Name: 2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-2-(hydroxymethyl)-4-pentenoic acid IUPAC Name: 2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-2-(hydroxymethyl)pent-4-enoic acid Traditional Name: 2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-2-methylol-pent-4-enoic acid Formula: C18H18FNO6S MolecularWeight: 395.402023

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CO)(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)F

Isomeric SMILES

C=CCC(CO)(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO6S/c1-2-11-18(12-21,17(22)23)20-27(24,25)16-9-7-15(8-10-16)26-14-5-3-13(19)4-6-14/h2-10,20-21H,1,11-12H2,(H,22,23)