N-[4-bromanyl-3-[3-ethyl-4-[[2-fluoranyl-4-(2-sulfamoylphenyl)phenyl]methyl]-5-oxidanylidene-1,2,4-triazol-1-yl]phenyl]pentanamide

Systemtic Name: N-[4-bromanyl-3-[3-ethyl-4-[[2-fluoranyl-4-(2-sulfamoylphenyl)phenyl]methyl]-5-oxidanylidene-1,2,4-triazol-1-yl]phenyl]pentanamide Openeye Name: N-[4-bromo-3-[3-ethyl-4-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]phenyl]pentanamide CAS Name: N-[4-bromo-3-[3-ethyl-4-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]phenyl]pentanamide IUPAC Name: N-[4-bromo-3-[3-ethyl-4-[[2-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]-5-oxo-1,2,4-triazol-1-yl]phenyl]pentanamide Traditional Name: N-[4-bromo-3-[3-ethyl-4-[2-fluoro-4-(2-sulfamoylphenyl)benzyl]-5-keto-1,2,4-triazol-1-yl]phenyl]valeramide Formula: C28H29BrFN5O4S MolecularWeight: 630.528363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=C(C=C1)Br)N2C(=O)N(C(=N2)CC)CC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)N)F

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C=C1)Br)N2C(=O)N(C(=N2)CC)CC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)N)F

InChI

InChI=1S/C28H29BrFN5O4S/c1-3-5-10-27(36)32-20-13-14-22(29)24(16-20)35-28(37)34(26(4-2)33-35)17-19-12-11-18(15-23(19)30)21-8-6-7-9-25(21)40(31,38)39/h6-9,11-16H,3-5,10,17H2,1-2H3,(H,32,36)(H2,31,38,39)