1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(5-chloranyl-2-phenoxy-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(5-chloranyl-2-phenoxy-phenyl)piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide CAS Name: N-(5-chloro-2-phenoxyphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotamide Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H22ClN3O4S/c26-18-10-11-22(33-19-6-2-1-3-7-19)21(16-18)27-25(30)17-12-14-29(15-13-17)24-20-8-4-5-9-23(20)34(31,32)28-24/h1-11,16-17H,12-15H2,(H,27,30)