N-(1-adamantyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(1-adamantyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(1-adamantyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-(1-adamantyl)-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(1-adamantyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(1-adamantyl)-3-[(4-mesylpiperazino)methyl]benzamide Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

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