6-(2-methylsulfonylphenyl)hexane-1,3-diamine hydrochloride

Systemtic Name: 6-(2-methylsulfonylphenyl)hexane-1,3-diamine hydrochloride Openeye Name: 6-(2-methylsulfonylphenyl)hexane-1,3-diamine hydrochloride CAS Name: 6-(2-methylsulfonylphenyl)hexane-1,3-diamine hydrochloride IUPAC Name: 6-(2-methylsulfonylphenyl)hexane-1,3-diamine hydrochloride Traditional Name: [1-(2-aminoethyl)-4-(2-mesylphenyl)butyl]amine hydrochloride Formula: C13H23ClN2O2S MolecularWeight: 306.85192

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CCCC(CCN)N.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CCCC(CCN)N.Cl

InChI

InChI=1S/C13H22N2O2S.ClH/c1-18(16,17)13-8-3-2-5-11(13)6-4-7-12(15)9-10-14;/h2-3,5,8,12H,4,6-7,9-10,14-15H2,1H3;1H