[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N2CCCCCCC2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N2CCCCCCC2

InChI

InChI=1S/C17H23NO5S/c1-24(21,22)15-10-6-5-9-14(15)17(20)23-13-16(19)18-11-7-3-2-4-8-12-18/h5-6,9-10H,2-4,7-8,11-13H2,1H3