1-azanylpropan-2-ol; 6-[methyl(phenylsulfonyl)amino]hexanoic acid

Systemtic Name: 1-azanylpropan-2-ol; 6-[methyl(phenylsulfonyl)amino]hexanoic acid Openeye Name: 1-aminopropan-2-ol; 6-[benzenesulfonyl(methyl)amino]hexanoic acid CAS Name: 1-amino-2-propanol; 6-[benzenesulfonyl(methyl)amino]hexanoic acid IUPAC Name: 1-aminopropan-2-ol; 6-[benzenesulfonyl(methyl)amino]hexanoic acid Traditional Name: 1-aminopropan-2-ol; 6-[besyl(methyl)amino]hexanoic acid Formula: C16H28N2O5S MolecularWeight: 360.46892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4S.C3H9NO/c1-14(11-7-3-6-10-13(15)16)19(17,18)12-8-4-2-5-9-12;1-3(5)2-4/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,15,16);3,5H,2,4H2,1H3