3-[3-butyl-4-[[2-fluoranyl-4-(2-sulfamoylphenyl)phenyl]methyl]-5-oxidanylidene-1,2,4-triazol-1-yl]-4-chloranyl-N-(2-methoxyethyl)benzamide

Systemtic Name: 3-[3-butyl-4-[[2-fluoranyl-4-(2-sulfamoylphenyl)phenyl]methyl]-5-oxidanylidene-1,2,4-triazol-1-yl]-4-chloranyl-N-(2-methoxyethyl)benzamide Openeye Name: 3-[3-butyl-4-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-chloro-N-(2-methoxyethyl)benzamide CAS Name: 3-[3-butyl-4-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-chloro-N-(2-methoxyethyl)benzamide IUPAC Name: 3-[3-butyl-4-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]-4-chloro-N-(2-methoxyethyl)benzamide Traditional Name: 3-[3-butyl-4-[2-fluoro-4-(2-sulfamoylphenyl)benzyl]-5-keto-1,2,4-triazol-1-yl]-4-chloro-N-(2-methoxyethyl)benzamide Formula: C29H31ClFN5O5S MolecularWeight: 616.103343

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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)N)F)C4=C(C=CC(=C4)C(=O)NCCOC)Cl

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)F)C4=C(C=CC(=C4)C(=O)NCCOC)Cl

InChI

InChI=1S/C29H31ClFN5O5S/c1-3-4-9-27-34-36(25-17-20(12-13-23(25)30)28(37)33-14-15-41-2)29(38)35(27)18-21-11-10-19(16-24(21)31)22-7-5-6-8-26(22)42(32,39)40/h5-8,10-13,16-17H,3-4,9,14-15,18H2,1-2H3,(H,33,37)(H2,32,39,40)