N-[(2S)-1-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)-2-imidazol-1-yl-ethoxy]methyl]benzamide

Systemtic Name: N-[(2S)-1-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)-2-imidazol-1-yl-ethoxy]methyl]benzamide Openeye Name: N-[(1S)-1-[(4-chlorophenyl)sulfonylcarbamoyl]-3-methylsulfanyl-propyl]-2-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)-2-imidazol-1-yl-ethoxy]methyl]benzamide CAS Name: N-[(2S)-1-[(4-chlorophenyl)sulfonylamino]-4-(methylthio)-1-oxobutan-2-yl]-2-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)-2-(1-imidazolyl)ethoxy]methyl]benzamide IUPAC Name: N-[(2S)-1-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]methyl]benzamide Traditional Name: N-[(1S)-1-[(4-chlorophenyl)sulfonylcarbamoyl]-3-(methylthio)propyl]-2-(4-fluorophenyl)-4-[[1-(4-fluorophenyl)-2-imidazol-1-yl-ethoxy]methyl]benzamide Formula: C36H33ClF2N4O5S2 MolecularWeight: 739.250826

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl)NC(=O)C2=C(C=C(C=C2)COC(CN3C=CN=C3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

CSCC[C@@H](C(=O)NS(=O)(=O)C1=CC=C(C=C1)Cl)NC(=O)C2=C(C=C(C=C2)COC(CN3C=CN=C3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C36H33ClF2N4O5S2/c1-49-19-16-33(36(45)42-50(46,47)30-13-7-27(37)8-14-30)41-35(44)31-15-2-24(20-32(31)25-3-9-28(38)10-4-25)22-48-34(21-43-18-17-40-23-43)26-5-11-29(39)12-6-26/h2-15,17-18,20,23,33-34H,16,19,21-22H2,1H3,(H,41,44)(H,42,45)/t33-,34?/m0/s1