2-ethyl-2-[[4-(hexylamino)-2-(phenylmethyl)phenyl]sulfonylmethyl]hexanal

Systemtic Name: 2-ethyl-2-[[4-(hexylamino)-2-(phenylmethyl)phenyl]sulfonylmethyl]hexanal Openeye Name: 2-[[2-benzyl-4-(hexylamino)phenyl]sulfonylmethyl]-2-ethyl-hexanal CAS Name: 2-ethyl-2-[[4-(hexylamino)-2-(phenylmethyl)phenyl]sulfonylmethyl]hexanal IUPAC Name: 2-[[2-benzyl-4-(hexylamino)phenyl]sulfonylmethyl]-2-ethylhexanal Traditional Name: 2-[[2-benzyl-4-(hexylamino)phenyl]sulfonylmethyl]-2-ethyl-hexanal Formula: C28H41NO3S MolecularWeight: 471.69504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC(=C(C=C1)S(=O)(=O)CC(CC)(CCCC)C=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCNC1=CC(=C(C=C1)S(=O)(=O)CC(CC)(CCCC)C=O)CC2=CC=CC=C2

InChI

InChI=1S/C28H41NO3S/c1-4-7-9-13-19-29-26-16-17-27(25(21-26)20-24-14-11-10-12-15-24)33(31,32)23-28(6-3,22-30)18-8-5-2/h10-12,14-17,21-22,29H,4-9,13,18-20,23H2,1-3H3