(3,5-dimethylphenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: (3,5-dimethylphenyl)methyl 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid (3,5-dimethylbenzyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

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