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

Systemtic Name: ethyl N-[2-[4-[[1-(5-acetamido-2-chloranyl-phenyl)-3-butyl-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonylcarbamate Openeye Name: ethyl N-[2-[4-[[1-(5-acetamido-2-chloro-phenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamate CAS Name: N-[2-[4-[[1-(5-acetamido-2-chlorophenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamic acid ethyl ester IUPAC Name: ethyl N-[2-[4-[[1-(5-acetamido-2-chlorophenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate Traditional Name: N-[2-[4-[[1-(5-acetamido-2-chloro-phenyl)-3-butyl-5-keto-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamic acid ethyl ester Formula: C30H31ClFN5O6S MolecularWeight: 644.113443

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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)OCC)F)C4=C(C=CC(=C4)NC(=O)C)Cl

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCC)F)C4=C(C=CC(=C4)NC(=O)C)Cl

InChI

InChI=1S/C30H31ClFN5O6S/c1-4-6-11-28-34-37(26-17-22(33-19(3)38)14-15-24(26)31)30(40)36(28)18-21-13-12-20(16-25(21)32)23-9-7-8-10-27(23)44(41,42)35-29(39)43-5-2/h7-10,12-17H,4-6,11,18H2,1-3H3,(H,33,38)(H,35,39)