phenacyl (2R)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-2-carboxylate

Systemtic Name: phenacyl (2R)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-2-carboxylate Openeye Name: phenacyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate CAS Name: (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-piperidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl (2R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-2-carboxylate Traditional Name: (2R)-1-(1,1-diketo-1,2-benzothiazol-3-yl)pipecolinic acid phenacyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN([C@H](C1)C(=O)OCC(=O)C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H20N2O5S/c24-18(15-8-2-1-3-9-15)14-28-21(25)17-11-6-7-13-23(17)20-16-10-4-5-12-19(16)29(26,27)22-20/h1-5,8-10,12,17H,6-7,11,13-14H2/t17-/m1/s1