N-[3-(6-tert-butyl-7-chloranyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-cyclohexylsulfonyl-tetradecanamide

Systemtic Name: N-[3-(6-tert-butyl-7-chloranyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-cyclohexylsulfonyl-tetradecanamide Openeye Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-cyclohexylsulfonyl-tetradecanamide CAS Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-cyclohexylsulfonyltetradecanamide IUPAC Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-cyclohexylsulfonyltetradecanamide Traditional Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-cyclohexylsulfonyl-myristamide Formula: C34H52ClN5O3S MolecularWeight: 646.32638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)NC1=CC=CC(=C1)C2=NN3C(=N2)C(=C(N3)C(C)(C)C)Cl)S(=O)(=O)C4CCCCC4

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)NC1=CC=CC(=C1)C2=NN3C(=N2)C(=C(N3)C(C)(C)C)Cl)S(=O)(=O)C4CCCCC4

InChI

InChI=1S/C34H52ClN5O3S/c1-5-6-7-8-9-10-11-12-13-17-23-28(44(42,43)27-21-15-14-16-22-27)33(41)36-26-20-18-19-25(24-26)31-37-32-29(35)30(34(2,3)4)38-40(32)39-31/h18-20,24,27-28,38H,5-17,21-23H2,1-4H3,(H,36,41)