(2,6-dimethylphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (2,6-dimethylphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2,6-dimethylphenyl) 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2,6-dimethylphenyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H27NO4S/c1-17-7-6-8-18(2)22(17)27-21(24)14-11-19-9-12-20(13-10-19)28(25,26)23-15-4-3-5-16-23/h6-10,12-13H,3-5,11,14-16H2,1-2H3