N',N'-dimethylpropane-1,3-diamine; 6-[methyl(phenylsulfonyl)amino]hexanoic acid

Systemtic Name: N',N'-dimethylpropane-1,3-diamine; 6-[methyl(phenylsulfonyl)amino]hexanoic acid Openeye Name: 6-[benzenesulfonyl(methyl)amino]hexanoic acid; N',N'-dimethylpropane-1,3-diamine CAS Name: 6-[benzenesulfonyl(methyl)amino]hexanoic acid; N',N'-dimethylpropane-1,3-diamine IUPAC Name: 6-[benzenesulfonyl(methyl)amino]hexanoic acid; N',N'-dimethylpropane-1,3-diamine Traditional Name: 3-aminopropyl(dimethyl)amine; 6-[besyl(methyl)amino]hexanoic acid Formula: C18H33N3O4S MolecularWeight: 387.53732

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN.CN(CCCCCC(=O)O)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CN(C)CCCN.CN(CCCCCC(=O)O)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H19NO4S.C5H14N2/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12;1-7(2)5-3-4-6/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16);3-6H2,1-2H3