3-[4-[[4-[2-[[2,5-bis(fluoranyl)phenyl]carbonylsulfamoyl]phenyl]-2-fluoranyl-phenyl]methyl]-3-butyl-5-oxidanylidene-1,2,4-triazol-1-yl]-N-butyl-4-(trifluoromethyl)benzamide

Systemtic Name: 3-[4-[[4-[2-[[2,5-bis(fluoranyl)phenyl]carbonylsulfamoyl]phenyl]-2-fluoranyl-phenyl]methyl]-3-butyl-5-oxidanylidene-1,2,4-triazol-1-yl]-N-butyl-4-(trifluoromethyl)benzamide Openeye Name: N-butyl-3-[3-butyl-4-[[4-[2-[(2,5-difluorobenzoyl)sulfamoyl]phenyl]-2-fluoro-phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-(trifluoromethyl)benzamide CAS Name: N-butyl-3-[3-butyl-4-[[4-[2-[[(2,5-difluorophenyl)-oxomethyl]sulfamoyl]phenyl]-2-fluorophenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-butyl-3-[3-butyl-4-[[4-[2-[(2,5-difluorobenzoyl)sulfamoyl]phenyl]-2-fluorophenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-butyl-3-[3-butyl-4-[4-[2-[(2,5-difluorobenzoyl)sulfamoyl]phenyl]-2-fluoro-benzyl]-5-keto-1,2,4-triazol-1-yl]-4-(trifluoromethyl)benzamide Formula: C38H35F6N5O5S MolecularWeight: 787.770419

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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=C(C=CC(=C4)F)F)F)C5=C(C=CC(=C5)C(=O)NCCCC)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C38H35F6N5O5S/c1-3-5-11-34-46-49(32-20-24(35(50)45-18-6-4-2)14-16-29(32)38(42,43)44)37(52)48(34)22-25-13-12-23(19-31(25)41)27-9-7-8-10-33(27)55(53,54)47-36(51)28-21-26(39)15-17-30(28)40/h7-10,12-17,19-21H,3-6,11,18,22H2,1-2H3,(H,45,50)(H,47,51)