(2-methoxy-5-methyl-phenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-16-7-10-20(27-3)19(13-16)15-28-22(24)18-9-8-17(2)21(14-18)29(25,26)23-11-5-4-6-12-23/h7-10,13-14H,4-6,11-12,15H2,1-3H3