N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]octane-1-sulfonamide

Systemtic Name: N-[1-[4-(5-chloranyl-2-methyl-phenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]octane-1-sulfonamide Openeye Name: N-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]octane-1-sulfonamide CAS Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]-1-octanesulfonamide IUPAC Name: N-[1-[4-(5-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]octane-1-sulfonamide Traditional Name: N-[1-[4-(5-chloro-2-methyl-phenyl)-5-[(4-fluorobenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]octane-1-sulfonamide Formula: C32H38ClFN4O2S2 MolecularWeight: 629.251123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C3=C(C=CC(=C3)Cl)C)SCC4=CC=C(C=C4)F

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C3=C(C=CC(=C3)Cl)C)SCC4=CC=C(C=C4)F

InChI

InChI=1S/C32H38ClFN4O2S2/c1-3-4-5-6-7-11-20-42(39,40)37-29(21-25-12-9-8-10-13-25)31-35-36-32(41-23-26-15-18-28(34)19-16-26)38(31)30-22-27(33)17-14-24(30)2/h8-10,12-19,22,29,37H,3-7,11,20-21,23H2,1-2H3