3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonylpropanoate

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonylpropanoate Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]sulfonylpropanoate CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]sulfonylpropanoate IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]sulfonylpropanoate Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]sulfonylpropionate Formula: C11H18NO5S- MolecularWeight: 276.32932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CS(=O)(=O)CCC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CS(=O)(=O)CCC(=O)[O-]

InChI

InChI=1S/C11H19NO5S/c13-10(12-6-3-1-2-4-7-12)9-18(16,17)8-5-11(14)15/h1-9H2,(H,14,15)/p-1