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

Systemtic Name: N-[2-[4-[[3-butyl-1-[5-(3-methoxypropanoylamino)-2-(trifluoromethyl)phenyl]-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonyl-2,5-bis(fluoranyl)benzamide Openeye Name: N-[2-[4-[[3-butyl-1-[5-(3-methoxypropanoylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonyl-2,5-difluoro-benzamide CAS Name: N-[2-[4-[[3-butyl-1-[5-[(3-methoxy-1-oxopropyl)amino]-2-(trifluoromethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2,5-difluorobenzamide IUPAC Name: N-[2-[4-[[3-butyl-1-[5-(3-methoxypropanoylamino)-2-(trifluoromethyl)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2,5-difluorobenzamide Traditional Name: N-[2-[4-[[3-butyl-5-keto-1-[5-(3-methoxypropanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonyl-2,5-difluoro-benzamide Formula: C37H33F6N5O6S MolecularWeight: 789.743239

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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)NC(=O)CCOC)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)NC(=O)CCOC)C(F)(F)F

InChI

InChI=1S/C37H33F6N5O6S/c1-3-4-9-33-45-48(31-20-25(44-34(49)16-17-54-2)13-14-28(31)37(41,42)43)36(51)47(33)21-23-11-10-22(18-30(23)40)26-7-5-6-8-32(26)55(52,53)46-35(50)27-19-24(38)12-15-29(27)39/h5-8,10-15,18-20H,3-4,9,16-17,21H2,1-2H3,(H,44,49)(H,46,50)