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

Systemtic Name: ethyl 1-[4-(3-chloranyl-2-cyano-phenoxy)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(3-chloro-2-cyano-phenoxy)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-(3-chloro-2-cyano-phenoxy)phenyl]sulfonylisonipecotic acid ethyl ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N

InChI

InChI=1S/C21H21ClN2O5S/c1-2-28-21(25)15-10-12-24(13-11-15)30(26,27)17-8-6-16(7-9-17)29-20-5-3-4-19(22)18(20)14-23/h3-9,15H,2,10-13H2,1H3