N-[3-(tert-butylsulfamoyl)phenyl]-1-(6-chloranylpyridazin-3-yl)piperidine-3-carboxamide

Systemtic Name: N-[3-(tert-butylsulfamoyl)phenyl]-1-(6-chloranylpyridazin-3-yl)piperidine-3-carboxamide Openeye Name: N-[3-(tert-butylsulfamoyl)phenyl]-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide CAS Name: N-[3-(tert-butylsulfamoyl)phenyl]-1-(6-chloro-3-pyridazinyl)-3-piperidinecarboxamide IUPAC Name: N-[3-(tert-butylsulfamoyl)phenyl]-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide Traditional Name: N-[3-(tert-butylsulfamoyl)phenyl]-1-(6-chloropyridazin-3-yl)nipecotamide Formula: C20H26ClN5O3S MolecularWeight: 451.97014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)Cl

InChI

InChI=1S/C20H26ClN5O3S/c1-20(2,3)25-30(28,29)16-8-4-7-15(12-16)22-19(27)14-6-5-11-26(13-14)18-10-9-17(21)23-24-18/h4,7-10,12,14,25H,5-6,11,13H2,1-3H3,(H,22,27)