2-(1-adamantyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-(1-adamantyl)-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[4-(4-mesylpiperazino)phenyl]acetamide Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H33N3O3S/c1-30(28,29)26-8-6-25(7-9-26)21-4-2-20(3-5-21)24-22(27)16-23-13-17-10-18(14-23)12-19(11-17)15-23/h2-5,17-19H,6-16H2,1H3,(H,24,27)