N-[3-[1-[2,2-bis(1-adamantyl)-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]propyl]phenyl]-1-methyl-imidazole-4-sulfonamide

Systemtic Name: N-[3-[1-[2,2-bis(1-adamantyl)-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]propyl]phenyl]-1-methyl-imidazole-4-sulfonamide Openeye Name: N-[3-[1-[2,2-bis(1-adamantyl)-6-hydroxy-4-oxo-3H-pyran-5-yl]propyl]phenyl]-1-methyl-imidazole-4-sulfonamide CAS Name: N-[3-[1-[2,2-bis(1-adamantyl)-6-hydroxy-4-oxo-3H-pyran-5-yl]propyl]phenyl]-1-methyl-4-imidazolesulfonamide IUPAC Name: N-[3-[1-[2,2-bis(1-adamantyl)-6-hydroxy-4-oxo-3H-pyran-5-yl]propyl]phenyl]-1-methylimidazole-4-sulfonamide Traditional Name: N-[3-[1-[2,2-bis(1-adamantyl)-6-hydroxy-4-keto-3H-pyran-5-yl]propyl]phenyl]-1-methyl-imidazole-4-sulfonamide Formula: C38H49N3O5S MolecularWeight: 659.87776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC=C1)NS(=O)(=O)C2=CN(C=N2)C)C3=C(OC(CC3=O)(C45CC6CC(C4)CC(C6)C5)C78CC9CC(C7)CC(C9)C8)O

Isomeric SMILES

CCC(C1=CC(=CC=C1)NS(=O)(=O)C2=CN(C=N2)C)C3=C(OC(CC3=O)(C45CC6CC(C4)CC(C6)C5)C78CC9CC(C7)CC(C9)C8)O

InChI

InChI=1S/C38H49N3O5S/c1-3-31(29-5-4-6-30(13-29)40-47(44,45)33-21-41(2)22-39-33)34-32(42)20-38(46-35(34)43,36-14-23-7-24(15-36)9-25(8-23)16-36)37-17-26-10-27(18-37)12-28(11-26)19-37/h4-6,13,21-28,31,40,43H,3,7-12,14-20H2,1-2H3