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

Systemtic Name: tert-butyl N-[2-[4-[[1-[2-chloranyl-5-(propanoylamino)phenyl]-5-oxidanylidene-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonylcarbamate Openeye Name: tert-butyl N-[2-[4-[[1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamate CAS Name: N-[2-[4-[[1-[2-chloro-5-(1-oxopropylamino)phenyl]-5-oxo-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-[[1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate Traditional Name: N-[2-[4-[[1-(2-chloro-5-propionamido-phenyl)-5-keto-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamic acid tert-butyl ester Formula: C32H35ClFN5O6S MolecularWeight: 672.166603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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)NC(=O)CC)Cl

Isomeric SMILES

CCCC1=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)NC(=O)CC)Cl

InChI

InChI=1S/C32H35ClFN5O6S/c1-6-10-28-36-39(26-18-22(15-16-24(26)33)35-29(40)7-2)31(42)38(28)19-21-14-13-20(17-25(21)34)23-11-8-9-12-27(23)46(43,44)37-30(41)45-32(3,4)5/h8-9,11-18H,6-7,10,19H2,1-5H3,(H,35,40)(H,37,41)