6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-indol-2-yl]-N-methyl-pyridine-3-carboxamide

Systemtic Name: 6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-indol-2-yl]-N-methyl-pyridine-3-carboxamide Openeye Name: 6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanyl-indol-2-yl]-N-methyl-pyridine-3-carboxamide CAS Name: 1-[(4-fluorophenyl)methyl]-2-[5-(methylcarbamoyl)-2-pyridinyl]-5-indolesulfenic acid methoxy ester IUPAC Name: 6-[1-[(4-fluorophenyl)methyl]-5-methylperoxysulfanylindol-2-yl]-N-methylpyridine-3-carboxamide Traditional Name: 6-[1-(4-fluorobenzyl)-5-(methylperoxythio)indol-2-yl]-N-methyl-nicotinamide Formula: C23H20FN3O3S MolecularWeight: 437.486603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN=C(C=C1)C2=CC3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)SOOC

Isomeric SMILES

CNC(=O)C1=CN=C(C=C1)C2=CC3=C(N2CC4=CC=C(C=C4)F)C=CC(=C3)SOOC

InChI

InChI=1S/C23H20FN3O3S/c1-25-23(28)16-5-9-20(26-13-16)22-12-17-11-19(31-30-29-2)8-10-21(17)27(22)14-15-3-6-18(24)7-4-15/h3-13H,14H2,1-2H3,(H,25,28)