(2,6-dimethylphenyl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (2,6-dimethylphenyl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylnipecotic acid (2,6-dimethylphenyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-15-6-4-7-16(2)20(15)27-21(23)17-8-5-13-22(14-17)28(24,25)19-11-9-18(26-3)10-12-19/h4,6-7,9-12,17H,5,8,13-14H2,1-3H3