[5-tert-butyl-4-[[2-[4-(2-hydroxyethyloxy)phenyl]-6-oxidanyl-4-oxidanylidene-2-phenethyl-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] 4-methylpiperazine-1-sulfonate

Systemtic Name: [5-tert-butyl-4-[[2-[4-(2-hydroxyethyloxy)phenyl]-6-oxidanyl-4-oxidanylidene-2-phenethyl-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] 4-methylpiperazine-1-sulfonate Openeye Name: [5-tert-butyl-4-[[6-hydroxy-2-[4-(2-hydroxyethoxy)phenyl]-4-oxo-2-phenethyl-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] 4-methylpiperazine-1-sulfonate CAS Name: 4-methyl-1-piperazinesulfonic acid [5-tert-butyl-4-[[6-hydroxy-2-[4-(2-hydroxyethoxy)phenyl]-4-oxo-2-phenethyl-3H-pyran-5-yl]thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[[6-hydroxy-2-[4-(2-hydroxyethoxy)phenyl]-4-oxo-2-phenethyl-3H-pyran-5-yl]sulfanyl]-2-methylphenyl] 4-methylpiperazine-1-sulfonate Traditional Name: 4-methylpiperazine-1-sulfonic acid [5-tert-butyl-4-[[6-hydroxy-2-[4-(2-hydroxyethoxy)phenyl]-4-keto-2-phenethyl-3H-pyran-5-yl]thio]-2-methyl-phenyl] ester Formula: C37H46N2O8S2 MolecularWeight: 710.89974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=C(C=C4)OCCO)O)C(C)(C)C)OS(=O)(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=C(C=C4)OCCO)O)C(C)(C)C)OS(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C37H46N2O8S2/c1-26-23-33(30(36(2,3)4)24-32(26)47-49(43,44)39-19-17-38(5)18-20-39)48-34-31(41)25-37(46-35(34)42,16-15-27-9-7-6-8-10-27)28-11-13-29(14-12-28)45-22-21-40/h6-14,23-24,40,42H,15-22,25H2,1-5H3