N-[2-[4-[[3-butyl-1-[2-chloranyl-5-(propanoylamino)phenyl]-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonyl-2-chloranyl-6-fluoranyl-benzamide

Systemtic Name: N-[2-[4-[[3-butyl-1-[2-chloranyl-5-(propanoylamino)phenyl]-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]-3-fluoranyl-phenyl]phenyl]sulfonyl-2-chloranyl-6-fluoranyl-benzamide Openeye Name: N-[2-[4-[[3-butyl-1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonyl-2-chloro-6-fluoro-benzamide CAS Name: N-[2-[4-[[3-butyl-1-[2-chloro-5-(1-oxopropylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-chloro-6-fluorobenzamide IUPAC Name: N-[2-[4-[[3-butyl-1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-chloro-6-fluorobenzamide Traditional Name: N-[2-[4-[[3-butyl-1-(2-chloro-5-propionamido-phenyl)-5-keto-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonyl-2-chloro-6-fluoro-benzamide Formula: C35H31Cl2F2N5O5S MolecularWeight: 742.618946

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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)C4=C(C=CC=C4Cl)F)F)C5=C(C=CC(=C5)NC(=O)CC)Cl

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=C(C=CC=C4Cl)F)F)C5=C(C=CC(=C5)NC(=O)CC)Cl

InChI

InChI=1S/C35H31Cl2F2N5O5S/c1-3-5-13-31-41-44(29-19-23(16-17-25(29)36)40-32(45)4-2)35(47)43(31)20-22-15-14-21(18-28(22)39)24-9-6-7-12-30(24)50(48,49)42-34(46)33-26(37)10-8-11-27(33)38/h6-12,14-19H,3-5,13,20H2,1-2H3,(H,40,45)(H,42,46)