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

Systemtic Name: N-[3-(6-tert-butyl-7-chloranyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-[3-(hexadecylsulfonylamino)phenyl]sulfonyl-butanamide Openeye Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-[3-(hexadecylsulfonylamino)phenyl]sulfonyl-butanamide CAS Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-[3-(hexadecylsulfonylamino)phenyl]sulfonylbutanamide IUPAC Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-[3-(hexadecylsulfonylamino)phenyl]sulfonylbutanamide Traditional Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-[3-(cetylsulfonylamino)phenyl]sulfonyl-butyramide Formula: C40H59ClN6O5S2 MolecularWeight: 803.51666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=CC=C1)S(=O)(=O)C(CC)C(=O)NC2=CC=CC(=C2)C3=NN4C(=N3)C(=C(N4)C(C)(C)C)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=CC=C1)S(=O)(=O)C(CC)C(=O)NC2=CC=CC(=C2)C3=NN4C(=N3)C(=C(N4)C(C)(C)C)Cl

InChI

InChI=1S/C40H59ClN6O5S2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-27-53(49,50)46-32-25-22-26-33(29-32)54(51,52)34(7-2)39(48)42-31-24-21-23-30(28-31)37-43-38-35(41)36(40(3,4)5)44-47(38)45-37/h21-26,28-29,34,44,46H,6-20,27H2,1-5H3,(H,42,48)