[4-[[2-[2-(4-aminophenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-5-tert-butyl-2-methyl-phenyl] 4-cyanobenzenesulfonate

Systemtic Name: [4-[[2-[2-(4-aminophenyl)ethyl]-6-oxidanyl-4-oxidanylidene-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-5-tert-butyl-2-methyl-phenyl] 4-cyanobenzenesulfonate Openeye Name: [4-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-2-isopropyl-4-oxo-3H-pyran-5-yl]sulfanyl]-5-tert-butyl-2-methyl-phenyl] 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid [4-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-4-oxo-2-propan-2-yl-3H-pyran-5-yl]thio]-5-tert-butyl-2-methylphenyl] ester IUPAC Name: [4-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-4-oxo-2-propan-2-yl-3H-pyran-5-yl]sulfanyl]-5-tert-butyl-2-methylphenyl] 4-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic acid [4-[[2-[2-(4-aminophenyl)ethyl]-6-hydroxy-2-isopropyl-4-keto-3H-pyran-5-yl]thio]-5-tert-butyl-2-methyl-phenyl] ester Formula: C34H38N2O6S2 MolecularWeight: 634.80532

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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)N)C(C)C)O)C(C)(C)C)OS(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)N)C(C)C)O)C(C)(C)C)OS(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C34H38N2O6S2/c1-21(2)34(16-15-23-7-11-25(36)12-8-23)19-28(37)31(32(38)41-34)43-30-17-22(3)29(18-27(30)33(4,5)6)42-44(39,40)26-13-9-24(20-35)10-14-26/h7-14,17-18,21,38H,15-16,19,36H2,1-6H3