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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(4-bromanyl-2-chloranyl-phenyl)piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide CAS Name: N-(4-bromo-2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotamide Formula: C19H17BrClN3O3S MolecularWeight: 482.77858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=C(C=C2)Br)Cl)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=C(C=C2)Br)Cl)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H17BrClN3O3S/c20-13-5-6-16(15(21)11-13)22-19(25)12-7-9-24(10-8-12)18-14-3-1-2-4-17(14)28(26,27)23-18/h1-6,11-12H,7-10H2,(H,22,25)