5-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]sulfonyl-3-thiophenecarboxylic acid IUPAC Name: 5-[4-[(4-fluorophenyl)sulfonyl-methylamino]phenoxy]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]phenoxy]sulfonyl-3-thenoic acid Formula: C18H14FNO7S3 MolecularWeight: 471.499663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=CS2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=CS2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H14FNO7S3/c1-20(29(23,24)16-8-2-13(19)3-9-16)14-4-6-15(7-5-14)27-30(25,26)17-10-12(11-28-17)18(21)22/h2-11H,1H3,(H,21,22)