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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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