4-chloranyl-N-[1-(4-phenyl-1,2,3-triazol-1-yl)heptan-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[1-(4-phenyl-1,2,3-triazol-1-yl)heptan-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[1-[(4-phenyltriazol-1-yl)methyl]hexyl]benzenesulfonamide CAS Name: 4-chloro-N-[1-(4-phenyl-1-triazolyl)heptan-2-yl]benzenesulfonamide IUPAC Name: 4-chloro-N-[1-(4-phenyltriazol-1-yl)heptan-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[1-[(4-phenyltriazol-1-yl)methyl]hexyl]benzenesulfonamide Formula: C21H25ClN4O2S MolecularWeight: 432.9668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CN1C=C(N=N1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCC(CN1C=C(N=N1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O2S/c1-2-3-5-10-19(24-29(27,28)20-13-11-18(22)12-14-20)15-26-16-21(23-25-26)17-8-6-4-7-9-17/h4,6-9,11-14,16,19,24H,2-3,5,10,15H2,1H3