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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(3-chloranyl-4-cyano-phenyl)piperidine-4-carboxamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide CAS Name: N-(3-chloro-4-cyanophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotamide Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O3S/c21-17-11-15(6-5-14(17)12-22)23-20(26)13-7-9-25(10-8-13)19-16-3-1-2-4-18(16)29(27,28)24-19/h1-6,11,13H,7-10H2,(H,23,26)