(2-methylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (2-methylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: o-tolylmethyl 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2-methylbenzyl) ester Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H27NO4S/c1-18-7-3-4-8-20(18)17-27-22(24)14-11-19-9-12-21(13-10-19)28(25,26)23-15-5-2-6-16-23/h3-4,7-10,12-13H,2,5-6,11,14-17H2,1H3