(2-oxidanylideneazepan-3-yl) 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (2-oxoazepan-3-yl) 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (2-ketoazepan-3-yl) ester Formula: C14H16ClNO5S MolecularWeight: 345.79854

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OC2CCCCNC2=O

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OC2CCCCNC2=O

InChI

InChI=1S/C14H16ClNO5S/c1-22(19,20)9-5-6-11(15)10(8-9)14(18)21-12-4-2-3-7-16-13(12)17/h5-6,8,12H,2-4,7H2,1H3,(H,16,17)