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

Systemtic Name: [5-tert-butyl-4-[[2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl] 4-methylpiperazine-1-sulfonate Openeye Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-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-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-3H-pyran-5-yl]thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-2-methyl-4-oxo-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-[2-(4-hydroxyphenyl)ethyl]-4-keto-2-methyl-3H-pyran-5-yl]thio]-2-methyl-phenyl] ester Formula: C30H40N2O7S2 MolecularWeight: 604.7778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C)CCC3=CC=C(C=C3)O)O)C(C)(C)C)OS(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C)CCC3=CC=C(C=C3)O)O)C(C)(C)C)OS(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C30H40N2O7S2/c1-20-17-26(23(29(2,3)4)18-25(20)39-41(36,37)32-15-13-31(6)14-16-32)40-27-24(34)19-30(5,38-28(27)35)12-11-21-7-9-22(33)10-8-21/h7-10,17-18,33,35H,11-16,19H2,1-6H3