3-[3-bromanyl-2-methyl-5-(methylsulfonylamino)-4-oxidanyl-phenyl]sulfanyl-N-octadecyl-benzamide

Systemtic Name: 3-[3-bromanyl-2-methyl-5-(methylsulfonylamino)-4-oxidanyl-phenyl]sulfanyl-N-octadecyl-benzamide Openeye Name: 3-[3-bromo-4-hydroxy-5-(methanesulfonamido)-2-methyl-phenyl]sulfanyl-N-octadecyl-benzamide CAS Name: 3-[[3-bromo-4-hydroxy-5-(methanesulfonamido)-2-methylphenyl]thio]-N-octadecylbenzamide IUPAC Name: 3-[3-bromo-4-hydroxy-5-(methanesulfonamido)-2-methylphenyl]sulfanyl-N-octadecylbenzamide Traditional Name: 3-[[3-bromo-4-hydroxy-5-(methanesulfonamido)-2-methyl-phenyl]thio]-N-stearyl-benzamide Formula: C33H51BrN2O4S2 MolecularWeight: 683.80304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)SC2=C(C(=C(C(=C2)NS(=O)(=O)C)O)Br)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)SC2=C(C(=C(C(=C2)NS(=O)(=O)C)O)Br)C

InChI

InChI=1S/C33H51BrN2O4S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35-33(38)27-21-20-22-28(24-27)41-30-25-29(36-42(3,39)40)32(37)31(34)26(30)2/h20-22,24-25,36-37H,4-19,23H2,1-3H3,(H,35,38)