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

Systemtic Name: N-[3-(6-tert-butyl-7-chloranyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-hexadecylsulfonyl-butanamide Openeye Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-hexadecylsulfonyl-butanamide CAS Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-hexadecylsulfonylbutanamide IUPAC Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-hexadecylsulfonylbutanamide Traditional Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-cetylsulfonyl-butyramide Formula: C34H54ClN5O3S MolecularWeight: 648.34226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54ClN5O3S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-44(42,43)28(7-2)33(41)36-27-23-21-22-26(25-27)31-37-32-29(35)30(34(3,4)5)38-40(32)39-31/h21-23,25,28,38H,6-20,24H2,1-5H3,(H,36,41)