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

Systemtic Name: (4-bromophenyl)methyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: (4-bromophenyl)methyl 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 (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 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 (4-bromobenzyl) ester Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)Br)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)Br)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H19BrN2O4S/c21-16-7-5-14(6-8-16)13-27-20(24)15-9-11-23(12-10-15)19-17-3-1-2-4-18(17)28(25,26)22-19/h1-8,15H,9-13H2