2-[(E)-[[5-[[6-[3-(2-fluorophenyl)-4-phenyl-pyridin-2-yl]oxy-2,2-dimethyl-hexyl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid

Systemtic Name: 2-[(E)-[[5-[[6-[3-(2-fluorophenyl)-4-phenyl-pyridin-2-yl]oxy-2,2-dimethyl-hexyl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid Openeye Name: 2-[(E)-[[5-[[6-[[3-(2-fluorophenyl)-4-phenyl-2-pyridyl]oxy]-2,2-dimethyl-hexyl]carbamoyl]-2-pyridyl]hydrazono]methyl]benzenesulfonic acid CAS Name: 2-[(E)-[[5-[[[6-[[3-(2-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-2,2-dimethylhexyl]amino]-oxomethyl]-2-pyridinyl]hydrazinylidene]methyl]benzenesulfonic acid IUPAC Name: 2-[(E)-[[5-[[6-[3-(2-fluorophenyl)-4-phenylpyridin-2-yl]oxy-2,2-dimethylhexyl]carbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid Traditional Name: 2-[(E)-[[5-[[6-[[3-(2-fluorophenyl)-4-phenyl-2-pyridyl]oxy]-2,2-dimethyl-hexyl]carbamoyl]-2-pyridyl]hydrazono]methyl]besylic acid Formula: C38H38FN5O5S MolecularWeight: 695.802223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCOC1=NC=CC(=C1C2=CC=CC=C2F)C3=CC=CC=C3)CNC(=O)C4=CN=C(C=C4)NN=CC5=CC=CC=C5S(=O)(=O)O

Isomeric SMILES

CC(C)(CCCCOC1=NC=CC(=C1C2=CC=CC=C2F)C3=CC=CC=C3)CNC(=O)C4=CN=C(C=C4)N/N=C/C5=CC=CC=C5S(=O)(=O)O

InChI

InChI=1S/C38H38FN5O5S/c1-38(2,26-42-36(45)29-18-19-34(41-24-29)44-43-25-28-14-6-9-17-33(28)50(46,47)48)21-10-11-23-49-37-35(31-15-7-8-16-32(31)39)30(20-22-40-37)27-12-4-3-5-13-27/h3-9,12-20,22,24-25H,10-11,21,23,26H2,1-2H3,(H,41,44)(H,42,45)(H,46,47,48)/b43-25+