4-[2-[(3-fluorophenyl)carbonylamino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid

Systemtic Name: 4-[2-[(3-fluorophenyl)carbonylamino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-[(3-fluorobenzoyl)amino]-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[[(3-fluorophenyl)-oxomethyl]amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-[(3-fluorobenzoyl)amino]-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-[(3-fluorobenzoyl)amino]-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C25H23FN2O6S MolecularWeight: 498.523323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)O)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)O)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H23FN2O6S/c26-19-6-4-5-18(15-19)24(29)27-22-16-21(35(32,33)28-13-2-1-3-14-28)11-12-23(22)34-20-9-7-17(8-10-20)25(30)31/h4-12,15-16H,1-3,13-14H2,(H,27,29)(H,30,31)