(2,6-dimethoxyphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2,6-dimethoxyphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2,6-dimethoxyphenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2,6-dimethoxyphenyl) ester Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(C=CC=C2OC)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C=CC=C2OC)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25NO6S/c1-15-10-11-16(14-19(15)29(24,25)22-12-5-4-6-13-22)21(23)28-20-17(26-2)8-7-9-18(20)27-3/h7-11,14H,4-6,12-13H2,1-3H3