(4-ethanoyl-2-methoxy-phenyl) 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (4-acetyl-2-methoxy-phenyl) 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (4-acetyl-2-methoxy-phenyl) ester Formula: C21H23NO6S MolecularWeight: 417.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S/c1-15(23)17-8-11-19(20(14-17)27-2)28-21(24)16-6-9-18(10-7-16)29(25,26)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3