[(1R)-1-phenylethyl] 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate

Systemtic Name: [(1R)-1-phenylethyl] 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: [(1R)-1-phenylethyl] 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxylic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotic acid [(1R)-1-phenylethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C[C@H](C1=CC=CC=C1)OC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H22N2O4S/c1-15(16-7-3-2-4-8-16)27-21(24)17-11-13-23(14-12-17)20-18-9-5-6-10-19(18)28(25,26)22-20/h2-10,15,17H,11-14H2,1H3/t15-/m1/s1