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

Systemtic Name: N-(1-adamantyl)-3-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: N-(1-adamantyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: N-(1-adamantyl)-3-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]benzamide IUPAC Name: N-(1-adamantyl)-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide Traditional Name: N-(1-adamantyl)-3-[(4-besylpiperazino)methyl]benzamide Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C28H35N3O3S/c32-27(29-28-17-22-13-23(18-28)15-24(14-22)19-28)25-6-4-5-21(16-25)20-30-9-11-31(12-10-30)35(33,34)26-7-2-1-3-8-26/h1-8,16,22-24H,9-15,17-20H2,(H,29,32)