ethyl 4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-1-methyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[4-(4-chloranylphenoxy)phenyl]sulfonyl-1-methyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-methyl-piperidine-4-carboxylate CAS Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-methyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-methylpiperidine-4-carboxylate Traditional Name: 4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-methyl-isonipecotic acid ethyl ester Formula: C21H24ClNO5S MolecularWeight: 437.93696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClNO5S/c1-3-27-20(24)21(12-14-23(2)15-13-21)29(25,26)19-10-8-18(9-11-19)28-17-6-4-16(22)5-7-17/h4-11H,3,12-15H2,1-2H3