[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C23H27NO8S MolecularWeight: 477.52738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27NO8S/c1-29-20-13-17(14-21(30-2)22(20)31-3)23(26)32-15-19(25)16-7-9-18(10-8-16)33(27,28)24-11-5-4-6-12-24/h7-10,13-14H,4-6,11-12,15H2,1-3H3