ethyl 1-(3-chlorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(3-chlorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(3-chlorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-(3-chlorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-chlorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-(3-chlorophenyl)sulfonyl-4-p-anisyl-isonipecotic acid ethyl ester Formula: C22H26ClNO5S MolecularWeight: 451.96354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Cl)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26ClNO5S/c1-3-29-21(25)22(16-17-7-9-19(28-2)10-8-17)11-13-24(14-12-22)30(26,27)20-6-4-5-18(23)15-20/h4-10,15H,3,11-14,16H2,1-2H3