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

Systemtic Name: N-[3-(6-tert-butyl-7-chloranyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-dodecylsulfonyl-3-methyl-butanamide Openeye Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-dodecylsulfonyl-3-methyl-butanamide CAS Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-dodecylsulfonyl-3-methylbutanamide IUPAC Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-dodecylsulfonyl-3-methylbutanamide Traditional Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-laurylsulfonyl-3-methyl-butyramide Formula: C31H48ClN5O3S MolecularWeight: 606.26252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C(C(C)C)C(=O)NC1=CC=CC(=C1)C2=NN3C(=N2)C(=C(N3)C(C)(C)C)Cl

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C(C(C)C)C(=O)NC1=CC=CC(=C1)C2=NN3C(=N2)C(=C(N3)C(C)(C)C)Cl

InChI

InChI=1S/C31H48ClN5O3S/c1-7-8-9-10-11-12-13-14-15-16-20-41(39,40)26(22(2)3)30(38)33-24-19-17-18-23(21-24)28-34-29-25(32)27(31(4,5)6)35-37(29)36-28/h17-19,21-22,26,35H,7-16,20H2,1-6H3,(H,33,38)