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

Systemtic Name: [5-tert-butyl-2-methyl-4-[(6-oxidanyl-4-oxidanylidene-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)sulfanyl]phenyl] 4-methylpiperazine-1-sulfonate Openeye Name: [5-tert-butyl-4-[(6-hydroxy-2-isopropyl-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-4-oxo-2-phenethyl-2-propan-2-yl-3H-pyran-5-yl)thio]-2-methylphenyl] ester IUPAC Name: [5-tert-butyl-4-[(6-hydroxy-4-oxo-2-phenethyl-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-isopropyl-4-keto-2-phenethyl-3H-pyran-5-yl)thio]-2-methyl-phenyl] ester Formula: C32H44N2O6S2 MolecularWeight: 616.83156

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H44N2O6S2/c1-22(2)32(14-13-24-11-9-8-10-12-24)21-26(35)29(30(36)39-32)41-28-19-23(3)27(20-25(28)31(4,5)6)40-42(37,38)34-17-15-33(7)16-18-34/h8-12,19-20,22,36H,13-18,21H2,1-7H3