2-fluoranyl-5-[[1-(4-methoxyphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid

Systemtic Name: 2-fluoranyl-5-[[1-(4-methoxyphenyl)-3-oxidanylidene-3-propan-2-yloxy-propyl]sulfamoyl]benzoic acid Openeye Name: 2-fluoro-5-[[3-isopropoxy-1-(4-methoxyphenyl)-3-oxo-propyl]sulfamoyl]benzoic acid CAS Name: 2-fluoro-5-[[1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid IUPAC Name: 2-fluoro-5-[[1-(4-methoxyphenyl)-3-oxo-3-propan-2-yloxypropyl]sulfamoyl]benzoic acid Traditional Name: 2-fluoro-5-[[3-isopropoxy-3-keto-1-(4-methoxyphenyl)propyl]sulfamoyl]benzoic acid Formula: C20H22FNO7S MolecularWeight: 439.454583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O

InChI

InChI=1S/C20H22FNO7S/c1-12(2)29-19(23)11-18(13-4-6-14(28-3)7-5-13)22-30(26,27)15-8-9-17(21)16(10-15)20(24)25/h4-10,12,18,22H,11H2,1-3H3,(H,24,25)