6-(methylamino)-2-(phenylsulfonyl)hexanoic acid; tris(2-hydroxyethyl)azanium

Systemtic Name: 6-(methylamino)-2-(phenylsulfonyl)hexanoic acid; tris(2-hydroxyethyl)azanium Openeye Name: 2-(benzenesulfonyl)-6-(methylamino)hexanoic acid; tris(2-hydroxyethyl)ammonium CAS Name: 2-(benzenesulfonyl)-6-(methylamino)hexanoic acid; tris(2-hydroxyethyl)ammonium IUPAC Name: 2-(benzenesulfonyl)-6-(methylamino)hexanoic acid; tris(2-hydroxyethyl)azanium Traditional Name: 2-besyl-6-(methylamino)hexanoic acid; tris(2-hydroxyethyl)ammonium Formula: C19H35N2O7S+ MolecularWeight: 435.5554

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCC(C(=O)O)S(=O)(=O)C1=CC=CC=C1.C(CO)[NH+](CCO)CCO

Isomeric SMILES

CNCCCCC(C(=O)O)S(=O)(=O)C1=CC=CC=C1.C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C13H19NO4S.C6H15NO3/c1-14-10-6-5-9-12(13(15)16)19(17,18)11-7-3-2-4-8-11;8-4-1-7(2-5-9)3-6-10/h2-4,7-8,12,14H,5-6,9-10H2,1H3,(H,15,16);8-10H,1-6H2/p+1