4-[[2-[3-oxidanyl-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[2-[3-oxidanyl-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]sulfamoyl]benzoic acid Openeye Name: 4-[[2-[3-hydroxy-3-phenyl-2-(2-pyridyl)-1-(2-pyridylamino)propyl]phenyl]sulfamoyl]benzoic acid CAS Name: 4-[[2-[3-hydroxy-3-phenyl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[2-[3-hydroxy-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]sulfamoyl]benzoic acid Traditional Name: 4-[[2-[3-hydroxy-3-phenyl-2-(2-pyridyl)-1-(2-pyridylamino)propyl]phenyl]sulfamoyl]benzoic acid Formula: C32H28N4O5S MolecularWeight: 580.65352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C2=CC=CC=N2)C(C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C(=O)O)NC5=CC=CC=N5)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(C2=CC=CC=N2)C(C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C(=O)O)NC5=CC=CC=N5)O

InChI

InChI=1S/C32H28N4O5S/c37-31(22-10-2-1-3-11-22)29(27-14-6-8-20-33-27)30(35-28-15-7-9-21-34-28)25-12-4-5-13-26(25)36-42(40,41)24-18-16-23(17-19-24)32(38)39/h1-21,29-31,36-37H,(H,34,35)(H,38,39)