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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(3-iodanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-iodophenyl)piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-iodophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-iodophenyl)piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(3-iodophenyl)isonipecotamide Formula: C19H18IN3O3S MolecularWeight: 495.33399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=CC=C2)I)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=CC=C2)I)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H18IN3O3S/c20-14-4-3-5-15(12-14)21-19(24)13-8-10-23(11-9-13)18-16-6-1-2-7-17(16)27(25,26)22-18/h1-7,12-13H,8-11H2,(H,21,24)