2,4-dinitro-N-[2-[3-oxidanyl-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]benzenesulfonamide

Systemtic Name: 2,4-dinitro-N-[2-[3-oxidanyl-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]benzenesulfonamide Openeye Name: N-[2-[3-hydroxy-3-phenyl-2-(2-pyridyl)-1-(2-pyridylamino)propyl]phenyl]-2,4-dinitro-benzenesulfonamide CAS Name: N-[2-[3-hydroxy-3-phenyl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]phenyl]-2,4-dinitrobenzenesulfonamide IUPAC Name: N-[2-[3-hydroxy-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]-2,4-dinitrobenzenesulfonamide Traditional Name: N-[2-[3-hydroxy-3-phenyl-2-(2-pyridyl)-1-(2-pyridylamino)propyl]phenyl]-2,4-dinitro-benzenesulfonamide Formula: C31H26N6O7S MolecularWeight: 626.63914

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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=C(C=C(C=C4)[N+](=O)[O-])[N+](=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=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])NC5=CC=CC=N5)O

InChI

InChI=1S/C31H26N6O7S/c38-31(21-10-2-1-3-11-21)29(25-14-6-8-18-32-25)30(34-28-15-7-9-19-33-28)23-12-4-5-13-24(23)35-45(43,44)27-17-16-22(36(39)40)20-26(27)37(41)42/h1-20,29-31,35,38H,(H,33,34)