N-[2-chloranyl-5-(hexadecylsulfonylamino)phenyl]-2-(2,6-dipyridin-2-ylpyridin-4-yl)oxy-4,4-dimethyl-3-oxidanylidene-pentanamide

Systemtic Name: N-[2-chloranyl-5-(hexadecylsulfonylamino)phenyl]-2-(2,6-dipyridin-2-ylpyridin-4-yl)oxy-4,4-dimethyl-3-oxidanylidene-pentanamide Openeye Name: 2-[[2,6-bis(2-pyridyl)-4-pyridyl]oxy]-N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxo-pentanamide CAS Name: 2-[[2,6-bis(2-pyridinyl)-4-pyridinyl]oxy]-N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxopentanamide IUPAC Name: N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-2-(2,6-dipyridin-2-ylpyridin-4-yl)oxy-4,4-dimethyl-3-oxopentanamide Traditional Name: 2-[[2,6-bis(2-pyridyl)-4-pyridyl]oxy]-N-[5-(cetylsulfonylamino)-2-chloro-phenyl]-3-keto-4,4-dimethyl-valeramide Formula: C44H58ClN5O5S MolecularWeight: 804.47982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)OC2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)OC2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4

InChI

InChI=1S/C44H58ClN5O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-56(53,54)50-33-25-26-35(45)38(30-33)49-43(52)41(42(51)44(2,3)4)55-34-31-39(36-23-18-20-27-46-36)48-40(32-34)37-24-19-21-28-47-37/h18-21,23-28,30-32,41,50H,5-17,22,29H2,1-4H3,(H,49,52)