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

Systemtic Name: (3,4-dimethylphenyl) 2-(4-piperidin-1-ylsulfonylphenyl)ethanoate Openeye Name: (3,4-dimethylphenyl) 2-[4-(1-piperidylsulfonyl)phenyl]acetate CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]acetic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 2-(4-piperidin-1-ylsulfonylphenyl)acetate Traditional Name: 2-(4-piperidinosulfonylphenyl)acetic acid (3,4-dimethylphenyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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