(2-methoxyphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-methoxyphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-methoxyphenyl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2-methoxyphenyl)methyl ester IUPAC Name: (2-methoxyphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid o-anisyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25NO5S/c1-16-10-11-17(14-20(16)28(24,25)22-12-6-3-7-13-22)21(23)27-15-18-8-4-5-9-19(18)26-2/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3