[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] pyridine-3-sulfonate

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] pyridine-3-sulfonate 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] pyridine-3-sulfonate CAS Name: 3-pyridinesulfonic 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] pyridine-3-sulfonate Traditional Name: pyridine-3-sulfonic 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: C32H38N2O6S2 MolecularWeight: 610.78392

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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=CN=CC=C4

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=CN=CC=C4

InChI

InChI=1S/C32H38N2O6S2/c1-20(2)32(14-13-22-9-11-23(33)12-10-22)18-26(35)29(30(36)39-32)41-28-16-21(3)27(17-25(28)31(4,5)6)40-42(37,38)24-8-7-15-34-19-24/h7-12,15-17,19-20,36H,13-14,18,33H2,1-6H3