N-(1-adamantyl)-2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[(3-fluorophenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-(1-adamantyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetamide CAS Name: N-(1-adamantyl)-2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonylanilino)acetamide IUPAC Name: N-(1-adamantyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide Traditional Name: N-(1-adamantyl)-2-(3-fluoro-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetamide Formula: C25H29FN2O3S2 MolecularWeight: 488.637763

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)F

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H29FN2O3S2/c1-32-22-5-7-23(8-6-22)33(30,31)28(21-4-2-3-20(26)12-21)16-24(29)27-25-13-17-9-18(14-25)11-19(10-17)15-25/h2-8,12,17-19H,9-11,13-16H2,1H3,(H,27,29)