1-(4-bromanyl-2-methylsulfonyl-phenyl)-N-[[5-fluoranyl-2-(2-methoxyethoxy)phenyl]methyl]methanamine

Systemtic Name: 1-(4-bromanyl-2-methylsulfonyl-phenyl)-N-[[5-fluoranyl-2-(2-methoxyethoxy)phenyl]methyl]methanamine Openeye Name: 1-(4-bromo-2-methylsulfonyl-phenyl)-N-[[5-fluoro-2-(2-methoxyethoxy)phenyl]methyl]methanamine CAS Name: 1-(4-bromo-2-methylsulfonylphenyl)-N-[[5-fluoro-2-(2-methoxyethoxy)phenyl]methyl]methanamine IUPAC Name: 1-(4-bromo-2-methylsulfonylphenyl)-N-[[5-fluoro-2-(2-methoxyethoxy)phenyl]methyl]methanamine Traditional Name: (4-bromo-2-mesyl-benzyl)-[5-fluoro-2-(2-methoxyethoxy)benzyl]amine Formula: C18H21BrFNO4S MolecularWeight: 446.331043

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)F)CNCC2=C(C=C(C=C2)Br)S(=O)(=O)C

Isomeric SMILES

COCCOC1=C(C=C(C=C1)F)CNCC2=C(C=C(C=C2)Br)S(=O)(=O)C

InChI

InChI=1S/C18H21BrFNO4S/c1-24-7-8-25-17-6-5-16(20)9-14(17)12-21-11-13-3-4-15(19)10-18(13)26(2,22)23/h3-6,9-10,21H,7-8,11-12H2,1-2H3