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

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(4-morpholin-4-ylphenyl)methyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-[(4-morpholinophenyl)methyl]acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[[4-(4-morpholinyl)phenyl]methyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(4-morpholin-4-ylphenyl)methyl]acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(4-morpholinobenzyl)acetamide Formula: C30H39N3O4S MolecularWeight: 537.71336

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCOCC2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCC1=CC=C(C=C1)N2CCOCC2)C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H39N3O4S/c1-38(35,36)33(21-29(34)31-20-22-2-6-27(7-3-22)32-10-12-37-13-11-32)28-8-4-26(5-9-28)30-17-23-14-24(18-30)16-25(15-23)19-30/h2-9,23-25H,10-21H2,1H3,(H,31,34)