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

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(4-bromanyl-3-methyl-phenyl)piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43)Br

InChI

InChI=1S/C20H20BrN3O3S/c1-13-12-15(6-7-17(13)21)22-20(25)14-8-10-24(11-9-14)19-16-4-2-3-5-18(16)28(26,27)23-19/h2-7,12,14H,8-11H2,1H3,(H,22,25)