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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide CAS Name: N-[5-chloro-2-(1-pyrrolidinyl)phenyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide Traditional Name: N-(5-chloro-2-pyrrolidino-phenyl)-1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotamide Formula: C23H25ClN4O3S MolecularWeight: 472.9876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)Cl)NC(=O)C3CCN(CC3)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C23H25ClN4O3S/c24-17-7-8-20(27-11-3-4-12-27)19(15-17)25-23(29)16-9-13-28(14-10-16)22-18-5-1-2-6-21(18)32(30,31)26-22/h1-2,5-8,15-16H,3-4,9-14H2,(H,25,29)