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

Systemtic Name: (3-cyanophenyl) (3R)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: (3-cyanophenyl) (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) (3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: (3R)-1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid (3-cyanophenyl) ester Formula: C20H17N3O4S MolecularWeight: 395.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC=CC(=C4)C#N

Isomeric SMILES

C1C[C@H](CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H17N3O4S/c21-12-14-5-3-7-16(11-14)27-20(24)15-6-4-10-23(13-15)19-17-8-1-2-9-18(17)28(25,26)22-19/h1-3,5,7-9,11,15H,4,6,10,13H2/t15-/m1/s1