(6-bromanylnaphthalen-2-yl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate

Systemtic Name: (6-bromanylnaphthalen-2-yl) 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: (6-bromo-2-naphthyl) 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxylic acid (6-bromo-2-naphthalenyl) ester IUPAC Name: (6-bromonaphthalen-2-yl) 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotic acid (6-bromo-2-naphthyl) ester Formula: C23H19BrN2O4S MolecularWeight: 499.37696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)Br)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)Br)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C23H19BrN2O4S/c24-18-7-5-17-14-19(8-6-16(17)13-18)30-23(27)15-9-11-26(12-10-15)22-20-3-1-2-4-21(20)31(28,29)25-22/h1-8,13-15H,9-12H2