tert-butyl N-[2-[4-[[1-[5-(butylcarbamoyl)-2-chloranyl-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-[5-(butylcarbamoyl)-2-chloranyl-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-[5-(butylcarbamoyl)-2-chloro-phenyl]-5-oxo-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamate CAS Name: N-[2-[4-[[1-[5-[butylamino(oxo)methyl]-2-chlorophenyl]-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-[5-(butylcarbamoyl)-2-chlorophenyl]-5-oxo-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate Traditional Name: N-[2-[4-[[1-[5-(butylcarbamoyl)-2-chloro-phenyl]-5-keto-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamic acid tert-butyl ester Formula: C34H39ClFN5O6S MolecularWeight: 700.219763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=C(C=C1)Cl)N2C(=O)N(C(=N2)CCC)CC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)OC(C)(C)C)F

Isomeric SMILES

CCCCNC(=O)C1=CC(=C(C=C1)Cl)N2C(=O)N(C(=N2)CCC)CC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)OC(C)(C)C)F

InChI

InChI=1S/C34H39ClFN5O6S/c1-6-8-18-37-31(42)23-16-17-26(35)28(20-23)41-33(44)40(30(38-41)11-7-2)21-24-15-14-22(19-27(24)36)25-12-9-10-13-29(25)48(45,46)39-32(43)47-34(3,4)5/h9-10,12-17,19-20H,6-8,11,18,21H2,1-5H3,(H,37,42)(H,39,43)