4-bromanyl-3-(carboxymethyloxy)-5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-carboxylic acid

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-carboxylic acid Openeye Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-carboxylic acid CAS Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]thiophene-2-carboxylic acid Traditional Name: 4-bromo-3-(carboxymethyloxy)-5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]-2-thenoic acid Formula: C19H13BrFNO7S2 MolecularWeight: 530.341423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

InChI

InChI=1S/C19H13BrFNO7S2/c20-15-16(29-9-14(23)24)18(19(25)26)30-17(15)10-2-1-3-12(8-10)22-31(27,28)13-6-4-11(21)5-7-13/h1-8,22H,9H2,(H,23,24)(H,25,26)