[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C21H24N2O5S/c1-29(26,27)19-8-4-3-7-18(19)21(25)28-15-20(24)22-16-9-11-17(12-10-16)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,22,24)