N-(1-adamantyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide

Systemtic Name: N-(1-adamantyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-(1-adamantyl)-4-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: N-(1-adamantyl)-4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]benzamide IUPAC Name: N-(1-adamantyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide Traditional Name: N-(1-adamantyl)-4-[(4-tosylpiperazino)methyl]benzamide Formula: C29H37N3O3S MolecularWeight: 507.68738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

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