2-[(5S,7R)-3-bromanyl-1-adamantyl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-1-[4-(4-fluorophenyl)sulfonylpiperazino]ethanone Formula: C22H28BrFN2O3S MolecularWeight: 499.436723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)(C3)Br)S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H28BrFN2O3S/c23-22-12-16-9-17(13-22)11-21(10-16,15-22)14-20(27)25-5-7-26(8-6-25)30(28,29)19-3-1-18(24)2-4-19/h1-4,16-17H,5-15H2/t16-,17+,21?,22?