8-iodanyl-N-(5-iodanylpentyl)-2-methylidene-3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)octan-1-amine

Systemtic Name: 8-iodanyl-N-(5-iodanylpentyl)-2-methylidene-3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)octan-1-amine Openeye Name: N-benzyl-8-iodo-N-(5-iodopentyl)-2-methylene-3-(p-tolylsulfonyl)octan-1-amine CAS Name: 8-iodo-N-(5-iodopentyl)-2-methylene-3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-1-octanamine IUPAC Name: N-benzyl-8-iodo-N-(5-iodopentyl)-2-methylidene-3-(4-methylphenyl)sulfonyloctan-1-amine Traditional Name: benzyl-(5-iodopentyl)-[2-(6-iodo-1-tosyl-hexyl)allyl]amine Formula: C28H39I2NO2S MolecularWeight: 707.4887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCI)C(=C)CN(CCCCCI)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCI)C(=C)CN(CCCCCI)CC2=CC=CC=C2

InChI

InChI=1S/C28H39I2NO2S/c1-24-15-17-27(18-16-24)34(32,33)28(14-8-4-9-19-29)25(2)22-31(21-11-5-10-20-30)23-26-12-6-3-7-13-26/h3,6-7,12-13,15-18,28H,2,4-5,8-11,14,19-23H2,1H3