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

Systemtic Name: N-(2-adamantyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-4-carboxamide Openeye Name: N-(2-adamantyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-4-carboxamide CAS Name: N-(2-adamantyl)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinecarboxamide IUPAC Name: N-(2-adamantyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide Traditional Name: N-(2-adamantyl)-1-(7-mesyl-4-methyl-quinazolin-2-yl)isonipecotamide Formula: C26H34N4O3S MolecularWeight: 482.63816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC(CC3)C(=O)NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C26H34N4O3S/c1-15-22-4-3-21(34(2,32)33)14-23(22)28-26(27-15)30-7-5-18(6-8-30)25(31)29-24-19-10-16-9-17(12-19)13-20(24)11-16/h3-4,14,16-20,24H,5-13H2,1-2H3,(H,29,31)