ethyl 4-[4-(3-chloranyl-2-cyano-phenoxy)phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(3-chloranyl-2-cyano-phenoxy)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(3-chloro-2-cyano-phenoxy)phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-(3-chloro-2-cyano-phenoxy)phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N

InChI

InChI=1S/C20H20ClN3O5S/c1-2-28-20(25)23-10-12-24(13-11-23)30(26,27)16-8-6-15(7-9-16)29-19-5-3-4-18(21)17(19)14-22/h3-9H,2,10-13H2,1H3