N-[2-[4-[[3-butyl-1-[2-chloranyl-5-(propanoylamino)phenyl]-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3,4-bis(chloranyl)furan-2-carboxamide

Systemtic Name: N-[2-[4-[[3-butyl-1-[2-chloranyl-5-(propanoylamino)phenyl]-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3,4-bis(chloranyl)furan-2-carboxamide Openeye Name: N-[2-[4-[[3-butyl-1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3,4-dichloro-furan-2-carboxamide CAS Name: N-[2-[4-[[3-butyl-1-[2-chloro-5-(1-oxopropylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3,4-dichloro-2-furancarboxamide IUPAC Name: N-[2-[4-[[3-butyl-1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3,4-dichlorofuran-2-carboxamide Traditional Name: N-[2-[4-[[3-butyl-1-(2-chloro-5-propionamido-phenyl)-5-keto-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-3,4-dichloro-2-furamide Formula: C33H30Cl3N5O6S MolecularWeight: 731.0452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=C(C(=CO4)Cl)Cl)C5=C(C=CC(=C5)NC(=O)CC)Cl

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=C(C(=CO4)Cl)Cl)C5=C(C=CC(=C5)NC(=O)CC)Cl

InChI

InChI=1S/C33H30Cl3N5O6S/c1-3-5-10-28-38-41(26-17-22(15-16-24(26)34)37-29(42)4-2)33(44)40(28)18-20-11-13-21(14-12-20)23-8-6-7-9-27(23)48(45,46)39-32(43)31-30(36)25(35)19-47-31/h6-9,11-17,19H,3-5,10,18H2,1-2H3,(H,37,42)(H,39,43)