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

Systemtic Name: N-[3-(6-tert-butyl-7-chloranyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(4-octoxyphenyl)sulfonyl-2-phenyl-ethanamide Openeye Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(4-octoxyphenyl)sulfonyl-2-phenyl-acetamide CAS Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(4-octoxyphenyl)sulfonyl-2-phenylacetamide IUPAC Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(4-octoxyphenyl)sulfonyl-2-phenylacetamide Traditional Name: N-[3-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2-(4-octoxyphenyl)sulfonyl-2-phenyl-acetamide Formula: C36H42ClN5O4S MolecularWeight: 676.26778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C4=NN5C(=N4)C(=C(N5)C(C)(C)C)Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C4=NN5C(=N4)C(=C(N5)C(C)(C)C)Cl

InChI

InChI=1S/C36H42ClN5O4S/c1-5-6-7-8-9-13-23-46-28-19-21-29(22-20-28)47(44,45)31(25-15-11-10-12-16-25)35(43)38-27-18-14-17-26(24-27)33-39-34-30(37)32(36(2,3)4)40-42(34)41-33/h10-12,14-22,24,31,40H,5-9,13,23H2,1-4H3,(H,38,43)