(2-chloranyl-5-methyl-phenyl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (2-chloro-5-methyl-phenyl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxylic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylnipecotic acid (2-chloro-5-methyl-phenyl) ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22ClNO5S/c1-14-5-10-18(21)19(12-14)27-20(23)15-4-3-11-22(13-15)28(24,25)17-8-6-16(26-2)7-9-17/h5-10,12,15H,3-4,11,13H2,1-2H3