4-[2-[(2,5-dimethylfuran-3-yl)carbonylamino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid

Systemtic Name: 4-[2-[(2,5-dimethylfuran-3-yl)carbonylamino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-[(2,5-dimethyl-3-furoyl)amino]-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H26N2O7S/c1-16-14-21(17(2)33-16)24(28)26-22-15-20(35(31,32)27-12-4-3-5-13-27)10-11-23(22)34-19-8-6-18(7-9-19)25(29)30/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,26,28)(H,29,30)