N-[2-(4-methylsulfonylphenyl)ethyl]-N'-(2-pyridin-3-ylethyl)hexane-1,6-diamine

Systemtic Name: N-[2-(4-methylsulfonylphenyl)ethyl]-N'-(2-pyridin-3-ylethyl)hexane-1,6-diamine Openeye Name: N-[2-(4-methylsulfonylphenyl)ethyl]-N'-[2-(3-pyridyl)ethyl]hexane-1,6-diamine CAS Name: N-[2-(4-methylsulfonylphenyl)ethyl]-N'-[2-(3-pyridinyl)ethyl]hexane-1,6-diamine IUPAC Name: N-[2-(4-methylsulfonylphenyl)ethyl]-N'-(2-pyridin-3-ylethyl)hexane-1,6-diamine Traditional Name: 2-(4-mesylphenyl)ethyl-[6-[2-(3-pyridyl)ethylamino]hexyl]amine Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CCNCCCCCCNCCC2=CN=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CCNCCCCCCNCCC2=CN=CC=C2

InChI

InChI=1S/C22H33N3O2S/c1-28(26,27)22-10-8-20(9-11-22)12-17-23-14-4-2-3-5-15-24-18-13-21-7-6-16-25-19-21/h6-11,16,19,23-24H,2-5,12-15,17-18H2,1H3