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

Systemtic Name: (3-chloranyl-1-adamantyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-chloro-1-adamantyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(3-chloro-1-adamantyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(3-chloro-1-adamantyl)methanone Traditional Name: (4-besylpiperazino)-(3-chloro-1-adamantyl)methanone Formula: C21H27ClN2O3S MolecularWeight: 422.96868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O3S/c22-21-13-16-10-17(14-21)12-20(11-16,15-21)19(25)23-6-8-24(9-7-23)28(26,27)18-4-2-1-3-5-18/h1-5,16-17H,6-15H2