2,3-dihydro-1H-inden-1-yl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate

Systemtic Name: 2,3-dihydro-1H-inden-1-yl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: indan-1-yl 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 2,3-dihydro-1H-inden-1-yl ester IUPAC Name: 2,3-dihydro-1H-inden-1-yl 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 indan-1-yl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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)OC4CCC5=CC=CC=C45

Isomeric SMILES

C1CC(CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)OC4CCC5=CC=CC=C45

InChI

InChI=1S/C22H22N2O4S/c25-22(28-19-12-11-15-6-1-2-8-17(15)19)16-7-5-13-24(14-16)21-18-9-3-4-10-20(18)29(26,27)23-21/h1-4,6,8-10,16,19H,5,7,11-14H2