(2,6-dimethylphenyl) 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate

Systemtic Name: (2,6-dimethylphenyl) 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: (2,6-dimethylphenyl) 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid (2,6-dimethylphenyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-16-7-6-8-17(2)21(16)26-20(23)15-18-9-11-19(12-10-18)27(24,25)22-13-4-3-5-14-22/h6-12H,3-5,13-15H2,1-2H3