8-iodanyl-2-methylidene-3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)octan-1-amine

Systemtic Name: 8-iodanyl-2-methylidene-3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)octan-1-amine Openeye Name: N-benzyl-8-iodo-2-methylene-3-(p-tolylsulfonyl)octan-1-amine CAS Name: 8-iodo-2-methylene-3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-1-octanamine IUPAC Name: N-benzyl-8-iodo-2-methylidene-3-(4-methylphenyl)sulfonyloctan-1-amine Traditional Name: benzyl-[2-(6-iodo-1-tosyl-hexyl)allyl]amine Formula: C23H30INO2S MolecularWeight: 511.45927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCI)C(=C)CNCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCI)C(=C)CNCC2=CC=CC=C2

InChI

InChI=1S/C23H30INO2S/c1-19-12-14-22(15-13-19)28(26,27)23(11-7-4-8-16-24)20(2)17-25-18-21-9-5-3-6-10-21/h3,5-6,9-10,12-15,23,25H,2,4,7-8,11,16-18H2,1H3