1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-(3-oxidanyl-1-adamantyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-N-(3-oxidanyl-1-adamantyl)piperidine-4-carboxamide Openeye Name: N-(3-hydroxy-1-adamantyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-4-carboxamide CAS Name: N-(3-hydroxy-1-adamantyl)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinecarboxamide IUPAC Name: N-(3-hydroxy-1-adamantyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide Traditional Name: N-(3-hydroxy-1-adamantyl)-1-(7-mesyl-4-methyl-quinazolin-2-yl)isonipecotamide Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)NC45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)NC45CC6CC(C4)CC(C6)(C5)O

InChI

InChI=1S/C26H34N4O4S/c1-16-21-4-3-20(35(2,33)34)10-22(21)28-24(27-16)30-7-5-19(6-8-30)23(31)29-25-11-17-9-18(12-25)14-26(32,13-17)15-25/h3-4,10,17-19,32H,5-9,11-15H2,1-2H3,(H,29,31)