methyl 6-[(4-bromanyl-2-chloranyl-phenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[(4-bromanyl-2-chloranyl-phenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(4-bromo-2-chloro-phenyl)sulfonylamino]hexanoate CAS Name: 6-[(4-bromo-2-chlorophenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-bromo-2-chlorophenyl)sulfonylamino]hexanoate Traditional Name: 6-[(4-bromo-2-chloro-phenyl)sulfonylamino]hexanoic acid methyl ester Formula: C13H17BrClNO4S MolecularWeight: 398.70038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNS(=O)(=O)C1=C(C=C(C=C1)Br)Cl

Isomeric SMILES

COC(=O)CCCCCNS(=O)(=O)C1=C(C=C(C=C1)Br)Cl

InChI

InChI=1S/C13H17BrClNO4S/c1-20-13(17)5-3-2-4-8-16-21(18,19)12-7-6-10(14)9-11(12)15/h6-7,9,16H,2-5,8H2,1H3