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

Systemtic Name: N-(1-adamantyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-4-carboxamide Openeye Name: N-(1-adamantyl)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidine-4-carboxamide CAS Name: N-(1-adamantyl)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-4-piperidinecarboxamide IUPAC Name: N-(1-adamantyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide Traditional Name: N-(1-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)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

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

InChI

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