(2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C20H28N2O5S MolecularWeight: 408.51172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3CCCCC3

InChI

InChI=1S/C20H28N2O5S/c23-19(21-11-4-3-5-12-21)16-27-20(24)17-9-8-10-18(15-17)28(25,26)22-13-6-1-2-7-14-22/h8-10,15H,1-7,11-14,16H2