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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22ClNO5S/c1-14-12-16(21)5-10-19(14)27-20(23)15-4-3-11-22(13-15)28(24,25)18-8-6-17(26-2)7-9-18/h5-10,12,15H,3-4,11,13H2,1-2H3/t15-/m0/s1