N-[2-[4-[[3-butyl-1-(2-chloranyl-5-pentanoyl-phenyl)-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonyl-2-fluoranyl-benzamide

Systemtic Name: N-[2-[4-[[3-butyl-1-(2-chloranyl-5-pentanoyl-phenyl)-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonyl-2-fluoranyl-benzamide Openeye Name: N-[2-[4-[[3-butyl-1-(2-chloro-5-pentanoyl-phenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonyl-2-fluoro-benzamide CAS Name: N-[2-[4-[[3-butyl-1-[2-chloro-5-(1-oxopentyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide IUPAC Name: N-[2-[4-[[3-butyl-1-(2-chloro-5-pentanoylphenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide Traditional Name: N-[2-[4-[[3-butyl-1-(2-chloro-5-valeryl-phenyl)-5-keto-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonyl-2-fluoro-benzamide Formula: C37H35ClF2N4O5S MolecularWeight: 721.212406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=CC=CC=C4F)F)C5=C(C=CC(=C5)C(=O)CCCC)Cl

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=CC=CC=C4F)F)C5=C(C=CC(=C5)C(=O)CCCC)Cl

InChI

InChI=1S/C37H35ClF2N4O5S/c1-3-5-14-33(45)25-19-20-29(38)32(22-25)44-37(47)43(35(41-44)16-6-4-2)23-26-18-17-24(21-31(26)40)27-11-8-10-15-34(27)50(48,49)42-36(46)28-12-7-9-13-30(28)39/h7-13,15,17-22H,3-6,14,16,23H2,1-2H3,(H,42,46)