4-[2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid

Systemtic Name: 4-[2-[(6-oxidanylidene-1H-pyridin-3-yl)carbonylamino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoic acid Openeye Name: 4-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-4-(1-piperidylsulfonyl)phenoxy]benzoic acid CAS Name: 4-[2-[[oxo-(6-oxo-1H-pyridin-3-yl)methyl]amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]-4-piperidin-1-ylsulfonylphenoxy]benzoic acid Traditional Name: 4-[2-[(6-keto-1H-pyridine-3-carbonyl)amino]-4-piperidinosulfonyl-phenoxy]benzoic acid Formula: C24H23N3O7S MolecularWeight: 497.52032

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=CNC(=O)C=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O7S/c28-22-11-6-17(15-25-22)23(29)26-20-14-19(35(32,33)27-12-2-1-3-13-27)9-10-21(20)34-18-7-4-16(5-8-18)24(30)31/h4-11,14-15H,1-3,12-13H2,(H,25,28)(H,26,29)(H,30,31)