(3,5-dimethylphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (3,5-dimethylphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (3,5-dimethylphenyl) 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (3,5-dimethylphenyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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