methyl 6-[(3-chloranyl-2-fluoranyl-phenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(3-chloranyl-2-fluoranyl-phenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(3-chloro-2-fluoro-phenyl)sulfonylamino]hexanoate CAS Name: 6-[(3-chloro-2-fluorophenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-chloro-2-fluorophenyl)sulfonylamino]hexanoate Traditional Name: 6-[(3-chloro-2-fluoro-phenyl)sulfonylamino]hexanoic acid methyl ester Formula: C13H17ClFNO4S MolecularWeight: 337.794783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNS(=O)(=O)C1=C(C(=CC=C1)Cl)F

Isomeric SMILES

COC(=O)CCCCCNS(=O)(=O)C1=C(C(=CC=C1)Cl)F

InChI

InChI=1S/C13H17ClFNO4S/c1-20-12(17)8-3-2-4-9-16-21(18,19)11-7-5-6-10(14)13(11)15/h5-7,16H,2-4,8-9H2,1H3