5-(tert-butylsulfonylmethyl)-2-(1H-imidazol-5-ylmethyl)-4-oxidanylidene-6-phenyl-hexanal

Systemtic Name: 5-(tert-butylsulfonylmethyl)-2-(1H-imidazol-5-ylmethyl)-4-oxidanylidene-6-phenyl-hexanal Openeye Name: 5-benzyl-6-tert-butylsulfonyl-2-(1H-imidazol-5-ylmethyl)-4-oxo-hexanal CAS Name: 5-(tert-butylsulfonylmethyl)-2-(1H-imidazol-5-ylmethyl)-4-oxo-6-phenylhexanal IUPAC Name: 5-benzyl-6-tert-butylsulfonyl-2-(1H-imidazol-5-ylmethyl)-4-oxohexanal Traditional Name: 5-benzyl-6-tert-butylsulfonyl-2-(1H-imidazol-5-ylmethyl)-4-keto-hexanal Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)CC(CC2=CN=CN2)C=O

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)CC(CC2=CN=CN2)C=O

InChI

InChI=1S/C21H28N2O4S/c1-21(2,3)28(26,27)14-18(9-16-7-5-4-6-8-16)20(25)11-17(13-24)10-19-12-22-15-23-19/h4-8,12-13,15,17-18H,9-11,14H2,1-3H3,(H,22,23)