N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]adamantane-1-carboxamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-5-morpholinosulfonyl-phenyl]adamantane-1-carboxamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-5-(4-morpholinylsulfonyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]adamantane-1-carboxamide Traditional Name: N-[2-(4-methylpiperazino)-5-morpholinosulfonyl-phenyl]adamantane-1-carboxamide Formula: C26H38N4O4S MolecularWeight: 502.66932

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H38N4O4S/c1-28-4-6-29(7-5-28)24-3-2-22(35(32,33)30-8-10-34-11-9-30)15-23(24)27-25(31)26-16-19-12-20(17-26)14-21(13-19)18-26/h2-3,15,19-21H,4-14,16-18H2,1H3,(H,27,31)