3-[(4,5-dimethoxy-2-methyl-phenyl)sulfonylamino]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)sulfonylamino]-4-fluoranyl-benzoic acid Openeye Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)sulfonylamino]-4-fluoro-benzoic acid CAS Name: 3-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-4-fluorobenzoic acid IUPAC Name: 3-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]-4-fluorobenzoic acid Traditional Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)sulfonylamino]-4-fluoro-benzoic acid Formula: C16H16FNO6S MolecularWeight: 369.364743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)F)OC)OC

InChI

InChI=1S/C16H16FNO6S/c1-9-6-13(23-2)14(24-3)8-15(9)25(21,22)18-12-7-10(16(19)20)4-5-11(12)17/h4-8,18H,1-3H3,(H,19,20)