3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfonylpropanoic acid

Systemtic Name: 3-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfonylpropanoic acid Openeye Name: 3-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfonylpropanoic acid CAS Name: 3-[1-(1-azepanyl)-1-oxopropan-2-yl]sulfonylpropanoic acid IUPAC Name: 3-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfonylpropanoic acid Traditional Name: 3-[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]sulfonylpropionic acid Formula: C12H21NO5S MolecularWeight: 291.36384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)S(=O)(=O)CCC(=O)O

Isomeric SMILES

CC(C(=O)N1CCCCCC1)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C12H21NO5S/c1-10(19(17,18)9-6-11(14)15)12(16)13-7-4-2-3-5-8-13/h10H,2-9H2,1H3,(H,14,15)