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

Systemtic Name: 2-(4-cyanophenoxy)ethyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: 2-(4-cyanophenoxy)ethyl 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 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 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 2-(4-cyanophenoxy)ethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCOC2=CC=C(C=C2)C#N)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)OCCOC2=CC=C(C=C2)C#N)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H21N3O5S/c23-15-16-5-7-18(8-6-16)29-13-14-30-22(26)17-9-11-25(12-10-17)21-19-3-1-2-4-20(19)31(27,28)24-21/h1-8,17H,9-14H2