N-[3-(6-tert-butyl-7-chloranyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-[4-(3-phenylbutoxy)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-[4-(3-phenylbutoxy)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-[4-(3-phenylbutoxy)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-[4-(3-phenylbutoxy)phenyl]sulfonylbutanamide IUPAC Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-[4-(3-phenylbutoxy)phenyl]sulfonylbutanamide Traditional Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-[4-(3-phenylbutoxy)phenyl]sulfonyl-butyramide Formula: C34H38ClN5O4S MolecularWeight: 648.21462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C2=NN3C(=N2)C(=C(N3)C(C)(C)C)Cl)S(=O)(=O)C4=CC=C(C=C4)OCCC(C)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C2=NN3C(=N2)C(=C(N3)C(C)(C)C)Cl)S(=O)(=O)C4=CC=C(C=C4)OCCC(C)C5=CC=CC=C5

InChI

InChI=1S/C34H38ClN5O4S/c1-6-28(45(42,43)27-17-15-26(16-18-27)44-20-19-22(2)23-11-8-7-9-12-23)33(41)36-25-14-10-13-24(21-25)31-37-32-29(35)30(34(3,4)5)38-40(32)39-31/h7-18,21-22,28,38H,6,19-20H2,1-5H3,(H,36,41)