2-[(4-bromophenyl)methylsulfanyl]-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)propanamide

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-N-(5-ethylsulfonyl-2-oxidanyl-phenyl)propanamide Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-N-(5-ethylsulfonyl-2-hydroxy-phenyl)propanamide CAS Name: 2-[(4-bromophenyl)methylthio]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide Traditional Name: 2-[(4-bromobenzyl)thio]-N-(5-esyl-2-hydroxy-phenyl)propionamide Formula: C18H20BrNO4S2 MolecularWeight: 458.3897

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C(C)SCC2=CC=C(C=C2)Br

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C(C)SCC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H20BrNO4S2/c1-3-26(23,24)15-8-9-17(21)16(10-15)20-18(22)12(2)25-11-13-4-6-14(19)7-5-13/h4-10,12,21H,3,11H2,1-2H3,(H,20,22)