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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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