7-methylperoxysulfanyloxy-3-(4-methylphenyl)-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one

Systemtic Name: 7-methylperoxysulfanyloxy-3-(4-methylphenyl)-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 7-methylperoxysulfanyloxy-4-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]-3-(p-tolyl)chromen-2-one CAS Name: 7-(methyldioxythio)oxy-3-(4-methylphenyl)-4-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methylperoxysulfanyloxy-3-(4-methylphenyl)-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 7-(methylperoxythio)oxy-4-[4-(2-piperidinoethoxy)benzyl]-3-(p-tolyl)coumarin Formula: C31H33NO6S MolecularWeight: 547.66182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)OSOOC)OC2=O)CC4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)OSOOC)OC2=O)CC4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C31H33NO6S/c1-22-6-10-24(11-7-22)30-28(27-15-14-26(37-39-38-34-2)21-29(27)36-31(30)33)20-23-8-12-25(13-9-23)35-19-18-32-16-4-3-5-17-32/h6-15,21H,3-5,16-20H2,1-2H3