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

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-[4-(phenylsulfonyl)phenyl]methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[4-(benzenesulfonyl)phenyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[4-(benzenesulfonyl)phenyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-[4-(benzenesulfonyl)phenyl]methanone Traditional Name: [4-(1-adamantyl)piperazino]-(4-besylphenyl)methanone Formula: C27H32N2O3S MolecularWeight: 464.61958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H32N2O3S/c30-26(23-6-8-25(9-7-23)33(31,32)24-4-2-1-3-5-24)28-10-12-29(13-11-28)27-17-20-14-21(18-27)16-22(15-20)19-27/h1-9,20-22H,10-19H2