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

Systemtic Name: [5-tert-butyl-4-[[2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-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-isopropyl-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]-4-oxo-2-propan-2-yl-3H-pyran-5-yl]thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[[6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-2-propan-2-yl-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]-2-isopropyl-4-keto-3H-pyran-5-yl]thio]-2-methyl-phenyl] ester Formula: C32H44N2O7S2 MolecularWeight: 632.83096

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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)C(C)C)O)C(C)(C)C)OS(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

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

InChI

InChI=1S/C32H44N2O7S2/c1-21(2)32(13-12-23-8-10-24(35)11-9-23)20-26(36)29(30(37)40-32)42-28-18-22(3)27(19-25(28)31(4,5)6)41-43(38,39)34-16-14-33(7)15-17-34/h8-11,18-19,21,35,37H,12-17,20H2,1-7H3