(2,4-dimethylphenyl) (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (2,4-dimethylphenyl) (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (2,4-dimethylphenyl) (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxylic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(4-methoxyphenyl)sulfonylnipecotic acid (2,4-dimethylphenyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-15-6-11-20(16(2)13-15)27-21(23)17-5-4-12-22(14-17)28(24,25)19-9-7-18(26-3)8-10-19/h6-11,13,17H,4-5,12,14H2,1-3H3/t17-/m0/s1