1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromophenyl)piperidine-3-carboxamide

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromophenyl)piperidine-3-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromophenyl)piperidine-3-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromophenyl)-3-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromophenyl)piperidine-3-carboxamide Traditional Name: N-(4-bromophenyl)-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C18H17BrN4O3S2 MolecularWeight: 481.38658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C18H17BrN4O3S2/c19-13-6-8-14(9-7-13)20-18(24)12-3-2-10-23(11-12)28(25,26)16-5-1-4-15-17(16)22-27-21-15/h1,4-9,12H,2-3,10-11H2,(H,20,24)