3-acetamidopropane-1-sulfonic acid; 3,5-dimethyladamantan-1-amine

Systemtic Name: 3-acetamidopropane-1-sulfonic acid; 3,5-dimethyladamantan-1-amine Openeye Name: 3-acetamidopropane-1-sulfonic acid; 3,5-dimethyladamantan-1-amine CAS Name: 3-acetamido-1-propanesulfonic acid; 3,5-dimethyl-1-adamantanamine IUPAC Name: 3-acetamidopropane-1-sulfonic acid; 3,5-dimethyladamantan-1-amine Traditional Name: 3-acetamidopropane-1-sulfonic acid; (3,5-dimethyl-1-adamantyl)amine Formula: C17H32N2O4S MolecularWeight: 360.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCS(=O)(=O)O.CC12CC3CC(C1)(CC(C3)(C2)N)C

Isomeric SMILES

CC(=O)NCCCS(=O)(=O)O.CC12CC3CC(C1)(CC(C3)(C2)N)C

InChI

InChI=1S/C12H21N.C5H11NO4S/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10;1-5(7)6-3-2-4-11(8,9)10/h9H,3-8,13H2,1-2H3;2-4H2,1H3,(H,6,7)(H,8,9,10)