3-[(4-butoxyphenyl)methylsulfamoyl]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[(4-butoxyphenyl)methylsulfamoyl]-4-fluoranyl-benzoic acid Openeye Name: 3-[(4-butoxyphenyl)methylsulfamoyl]-4-fluoro-benzoic acid CAS Name: 3-[(4-butoxyphenyl)methylsulfamoyl]-4-fluorobenzoic acid IUPAC Name: 3-[(4-butoxyphenyl)methylsulfamoyl]-4-fluorobenzoic acid Traditional Name: 3-[(4-butoxybenzyl)sulfamoyl]-4-fluoro-benzoic acid Formula: C18H20FNO5S MolecularWeight: 381.418503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C18H20FNO5S/c1-2-3-10-25-15-7-4-13(5-8-15)12-20-26(23,24)17-11-14(18(21)22)6-9-16(17)19/h4-9,11,20H,2-3,10,12H2,1H3,(H,21,22)