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

Systemtic Name: 2-[[4-azanyl-2-(phenylmethyl)phenyl]sulfonylmethyl]-2-ethyl-hexanal Openeye Name: 2-[(4-amino-2-benzyl-phenyl)sulfonylmethyl]-2-ethyl-hexanal CAS Name: 2-[[4-amino-2-(phenylmethyl)phenyl]sulfonylmethyl]-2-ethylhexanal IUPAC Name: 2-[(4-amino-2-benzylphenyl)sulfonylmethyl]-2-ethylhexanal Traditional Name: 2-[(4-amino-2-benzyl-phenyl)sulfonylmethyl]-2-ethyl-hexanal Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CS(=O)(=O)C1=C(C=C(C=C1)N)CC2=CC=CC=C2)C=O

Isomeric SMILES

CCCCC(CC)(CS(=O)(=O)C1=C(C=C(C=C1)N)CC2=CC=CC=C2)C=O

InChI

InChI=1S/C22H29NO3S/c1-3-5-13-22(4-2,16-24)17-27(25,26)21-12-11-20(23)15-19(21)14-18-9-7-6-8-10-18/h6-12,15-16H,3-5,13-14,17,23H2,1-2H3