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

Systemtic Name: 2-ethyl-2-[[4-(oxidanylamino)-2-(phenylmethyl)phenyl]sulfonylmethyl]hexanal Openeye Name: 2-[[2-benzyl-4-(hydroxyamino)phenyl]sulfonylmethyl]-2-ethyl-hexanal CAS Name: 2-ethyl-2-[[4-(hydroxyamino)-2-(phenylmethyl)phenyl]sulfonylmethyl]hexanal IUPAC Name: 2-[[2-benzyl-4-(hydroxyamino)phenyl]sulfonylmethyl]-2-ethylhexanal Traditional Name: 2-[[2-benzyl-4-(hydroxyamino)phenyl]sulfonylmethyl]-2-ethyl-hexanal Formula: C22H29NO4S MolecularWeight: 403.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CS(=O)(=O)C1=C(C=C(C=C1)NO)CC2=CC=CC=C2)C=O

Isomeric SMILES

CCCCC(CC)(CS(=O)(=O)C1=C(C=C(C=C1)NO)CC2=CC=CC=C2)C=O

InChI

InChI=1S/C22H29NO4S/c1-3-5-13-22(4-2,16-24)17-28(26,27)21-12-11-20(23-25)15-19(21)14-18-9-7-6-8-10-18/h6-12,15-16,23,25H,3-5,13-14,17H2,1-2H3