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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC3=C(C(=CC=C3)Cl)C#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)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)15-5-4-12-24(14-15)30(26,27)17-10-8-16(9-11-17)29-20-7-3-6-19(22)18(20)13-23/h3,6-11,15H,2,4-5,12,14H2,1H3