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

Systemtic Name: N-[4-(1-adamantyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[4-(1-adamantyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[4-(1-adamantyl)phenyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[4-(1-adamantyl)phenyl]-3-[(4-mesylpiperazino)methyl]benzamide Formula: C29H37N3O3S MolecularWeight: 507.68738

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H37N3O3S/c1-36(34,35)32-11-9-31(10-12-32)20-21-3-2-4-25(16-21)28(33)30-27-7-5-26(6-8-27)29-17-22-13-23(18-29)15-24(14-22)19-29/h2-8,16,22-24H,9-15,17-20H2,1H3,(H,30,33)