1-adamantyl-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]methanone Formula: C21H26ClFN2O3S MolecularWeight: 440.959143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClFN2O3S/c22-18-10-17(1-2-19(18)23)29(27,28)25-5-3-24(4-6-25)20(26)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13H2