[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H20ClNO5S MolecularWeight: 373.8517

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C16H20ClNO5S/c1-24(21,22)12-6-7-14(17)13(10-12)16(20)23-11-15(19)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3