(3-oxidanyl-1-adamantyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (3-oxidanyl-1-adamantyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-hydroxy-1-adamantyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(3-hydroxy-1-adamantyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-hydroxy-1-adamantyl)methanone Traditional Name: (4-besylpiperazino)-(3-hydroxy-1-adamantyl)methanone Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)(C3)O)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)(C3)O)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C21H28N2O4S/c24-19(20-11-16-10-17(12-20)14-21(25,13-16)15-20)22-6-8-23(9-7-22)28(26,27)18-4-2-1-3-5-18/h1-5,16-17,25H,6-15H2