ethyl 2-[[4-(3-chloranyl-2-cyano-phenoxy)phenyl]sulfonylamino]hexanoate

Systemtic Name: ethyl 2-[[4-(3-chloranyl-2-cyano-phenoxy)phenyl]sulfonylamino]hexanoate Openeye Name: ethyl 2-[[4-(3-chloro-2-cyano-phenoxy)phenyl]sulfonylamino]hexanoate CAS Name: 2-[[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonylamino]hexanoate Traditional Name: 2-[[4-(3-chloro-2-cyano-phenoxy)phenyl]sulfonylamino]hexanoic acid ethyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)NS(=O)(=O)C1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)C#N

Isomeric SMILES

CCCCC(C(=O)OCC)NS(=O)(=O)C1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)C#N

InChI

InChI=1S/C21H23ClN2O5S/c1-3-5-8-19(21(25)28-4-2)24-30(26,27)16-12-10-15(11-13-16)29-20-9-6-7-18(22)17(20)14-23/h6-7,9-13,19,24H,3-5,8H2,1-2H3