tert-butyl N-[2-[4-[[3-butyl-5-oxidanylidene-1-[5-(propylcarbamoyl)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonylcarbamate

Systemtic Name: tert-butyl N-[2-[4-[[3-butyl-5-oxidanylidene-1-[5-(propylcarbamoyl)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonylcarbamate Openeye Name: tert-butyl N-[2-[4-[[3-butyl-5-oxo-1-[5-(propylcarbamoyl)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamate CAS Name: N-[2-[4-[[3-butyl-5-oxo-1-[5-[oxo(propylamino)methyl]-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-[[3-butyl-5-oxo-1-[5-(propylcarbamoyl)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate Traditional Name: N-[2-[4-[[3-butyl-5-keto-1-[5-(propylcarbamoyl)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamic acid tert-butyl ester Formula: C35H39F4N5O6S MolecularWeight: 733.772673

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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)OC(C)(C)C)F)C4=C(C=CC(=C4)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)OC(C)(C)C)F)C4=C(C=CC(=C4)C(=O)NCCC)C(F)(F)F

InChI

InChI=1S/C35H39F4N5O6S/c1-6-8-13-30-41-44(28-20-23(31(45)40-18-7-2)16-17-26(28)35(37,38)39)33(47)43(30)21-24-15-14-22(19-27(24)36)25-11-9-10-12-29(25)51(48,49)42-32(46)50-34(3,4)5/h9-12,14-17,19-20H,6-8,13,18,21H2,1-5H3,(H,40,45)(H,42,46)