methyl 3-[2-(4-piperidin-1-ylsulfonylphenyl)ethanoyloxymethyl]benzoate

Systemtic Name: methyl 3-[2-(4-piperidin-1-ylsulfonylphenyl)ethanoyloxymethyl]benzoate Openeye Name: methyl 3-[[2-[4-(1-piperidylsulfonyl)phenyl]acetyl]oxymethyl]benzoate CAS Name: 3-[[1-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]oxymethyl]benzoate Traditional Name: 3-[[2-(4-piperidinosulfonylphenyl)acetyl]oxymethyl]benzoic acid methyl ester Formula: C22H25NO6S MolecularWeight: 431.502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)CC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25NO6S/c1-28-22(25)19-7-5-6-18(14-19)16-29-21(24)15-17-8-10-20(11-9-17)30(26,27)23-12-3-2-4-13-23/h5-11,14H,2-4,12-13,15-16H2,1H3