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

Systemtic Name: 3-[3-butyl-4-[[2-fluoranyl-4-[2-[(2-fluorophenyl)carbonylsulfamoyl]phenyl]phenyl]methyl]-5-oxidanylidene-1,2,4-triazol-1-yl]-N-propyl-4-(trifluoromethyl)benzamide Openeye Name: 3-[3-butyl-4-[[2-fluoro-4-[2-[(2-fluorobenzoyl)sulfamoyl]phenyl]phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-N-propyl-4-(trifluoromethyl)benzamide CAS Name: 3-[3-butyl-4-[[2-fluoro-4-[2-[[(2-fluorophenyl)-oxomethyl]sulfamoyl]phenyl]phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-N-propyl-4-(trifluoromethyl)benzamide IUPAC Name: 3-[3-butyl-4-[[2-fluoro-4-[2-[(2-fluorobenzoyl)sulfamoyl]phenyl]phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-N-propyl-4-(trifluoromethyl)benzamide Traditional Name: 3-[3-butyl-4-[2-fluoro-4-[2-[(2-fluorobenzoyl)sulfamoyl]phenyl]benzyl]-5-keto-1,2,4-triazol-1-yl]-N-propyl-4-(trifluoromethyl)benzamide Formula: C37H34F5N5O5S MolecularWeight: 755.753376

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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=CC=CC=C4F)F)C5=C(C=CC(=C5)C(=O)NCCC)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=CC=CC=C4F)F)C5=C(C=CC(=C5)C(=O)NCCC)C(F)(F)F

InChI

InChI=1S/C37H34F5N5O5S/c1-3-5-14-33-44-47(31-21-24(34(48)43-19-4-2)17-18-28(31)37(40,41)42)36(50)46(33)22-25-16-15-23(20-30(25)39)26-10-7-9-13-32(26)53(51,52)45-35(49)27-11-6-8-12-29(27)38/h6-13,15-18,20-21H,3-5,14,19,22H2,1-2H3,(H,43,48)(H,45,49)