[5-tert-butyl-4-[[2-cyclohexyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] imidazol-1-ylmethanesulfonate

Systemtic Name: [5-tert-butyl-4-[[2-cyclohexyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] imidazol-1-ylmethanesulfonate Openeye Name: [5-tert-butyl-4-[[2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] imidazol-1-ylmethanesulfonate CAS Name: 1-imidazolylmethanesulfonic acid [5-tert-butyl-4-[[2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-3H-pyran-5-yl]thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[[2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methylphenyl] imidazol-1-ylmethanesulfonate Traditional Name: imidazol-1-ylmethanesulfonic acid [5-tert-butyl-4-[[2-cyclohexyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-keto-3H-pyran-5-yl]thio]-2-methyl-phenyl] ester Formula: C34H42N2O7S2 MolecularWeight: 654.83648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C4CCCCC4)O)C(C)(C)C)OS(=O)(=O)CN5C=CN=C5

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C4CCCCC4)O)C(C)(C)C)OS(=O)(=O)CN5C=CN=C5

InChI

InChI=1S/C34H42N2O7S2/c1-23-18-30(27(33(2,3)4)19-29(23)43-45(40,41)22-36-17-16-35-21-36)44-31-28(38)20-34(42-32(31)39,25-8-6-5-7-9-25)15-14-24-10-12-26(37)13-11-24/h10-13,16-19,21,25,37,39H,5-9,14-15,20,22H2,1-4H3