quinolin-8-ylmethyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate

Systemtic Name: quinolin-8-ylmethyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: 8-quinolylmethyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid 8-quinolylmethyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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)OCC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OCC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C23H21N3O4S/c27-23(30-15-18-7-3-6-16-8-4-12-24-21(16)18)17-9-5-13-26(14-17)22-19-10-1-2-11-20(19)31(28,29)25-22/h1-4,6-8,10-12,17H,5,9,13-15H2