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

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: 2-(4-bromophenoxy)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-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)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-bromophenoxy)ethyl ester Formula: C21H21BrN2O5S MolecularWeight: 493.37084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O5S/c22-16-5-7-17(8-6-16)28-13-14-29-21(25)15-9-11-24(12-10-15)20-18-3-1-2-4-19(18)30(26,27)23-20/h1-8,15H,9-14H2