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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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