2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-[(4-fluorophenyl)methyl]acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(4-fluorophenyl)methyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(4-fluorophenyl)methyl]acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(4-fluorobenzyl)acetamide Formula: C26H31FN2O3S MolecularWeight: 470.599343

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)F)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)F)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H31FN2O3S/c1-33(31,32)29(17-25(30)28-16-18-2-6-23(27)7-3-18)24-8-4-22(5-9-24)26-13-19-10-20(14-26)12-21(11-19)15-26/h2-9,19-21H,10-17H2,1H3,(H,28,30)