4-[4-[(2-butyl-1-benzofuran-3-yl)methylamino]phenoxy]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 4-[4-[(2-butyl-1-benzofuran-3-yl)methylamino]phenoxy]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 4-[4-[(2-butylbenzofuran-3-yl)methylamino]phenoxy]sulfonyl-2-hydroxy-benzoic acid CAS Name: 4-[4-[(2-butyl-3-benzofuranyl)methylamino]phenoxy]sulfonyl-2-hydroxybenzoic acid IUPAC Name: 4-[4-[(2-butyl-1-benzofuran-3-yl)methylamino]phenoxy]sulfonyl-2-hydroxybenzoic acid Traditional Name: 4-[4-[(2-butylbenzofuran-3-yl)methylamino]phenoxy]sulfonyl-2-hydroxy-benzoic acid Formula: C26H25NO7S MolecularWeight: 495.5442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)CNC3=CC=C(C=C3)OS(=O)(=O)C4=CC(=C(C=C4)C(=O)O)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)CNC3=CC=C(C=C3)OS(=O)(=O)C4=CC(=C(C=C4)C(=O)O)O

InChI

InChI=1S/C26H25NO7S/c1-2-3-7-25-22(20-6-4-5-8-24(20)33-25)16-27-17-9-11-18(12-10-17)34-35(31,32)19-13-14-21(26(29)30)23(28)15-19/h4-6,8-15,27-28H,2-3,7,16H2,1H3,(H,29,30)