ethyl 2-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: ethyl 2-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(3-chloro-4-fluoro-phenyl)sulfonylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-6-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)sulfonylamino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C21H26ClFN2O6S2 MolecularWeight: 521.022343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C21H26ClFN2O6S2/c1-3-31-21(26)20(25-33(29,30)17-11-12-19(23)18(22)14-17)6-4-5-13-24-32(27,28)16-9-7-15(2)8-10-16/h7-12,14,20,24-25H,3-6,13H2,1-2H3