2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(4-bromanyl-2-fluoranyl-phenyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(4-bromo-2-fluorophenyl)acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(4-bromo-2-fluorophenyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C25H28BrFN2O3S MolecularWeight: 535.468823

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=C(C=C(C=C1)Br)F)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=C(C=C(C=C1)Br)F)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28BrFN2O3S/c1-33(31,32)29(15-24(30)28-23-7-4-20(26)11-22(23)27)21-5-2-19(3-6-21)25-12-16-8-17(13-25)10-18(9-16)14-25/h2-7,11,16-18H,8-10,12-15H2,1H3,(H,28,30)