(2-bromanyl-4-chloranyl-phenyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate

Systemtic Name: (2-bromanyl-4-chloranyl-phenyl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: (2-bromo-4-chloro-phenyl) 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-bromo-4-chlorophenyl) ester IUPAC Name: (2-bromo-4-chlorophenyl) 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-bromo-4-chloro-phenyl) ester Formula: C19H16BrClN2O4S MolecularWeight: 483.76334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)Cl)Br)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)OC2=C(C=C(C=C2)Cl)Br)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H16BrClN2O4S/c20-15-11-13(21)5-6-16(15)27-19(24)12-7-9-23(10-8-12)18-14-3-1-2-4-17(14)28(25,26)22-18/h1-6,11-12H,7-10H2