[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[(5S,7R)-3-oxidanyl-1-adamantyl]methanone

Systemtic Name: [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[(5S,7R)-3-oxidanyl-1-adamantyl]methanone Openeye Name: [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[(5S,7R)-3-hydroxy-1-adamantyl]methanone CAS Name: [4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-[(5S,7R)-3-hydroxy-1-adamantyl]methanone IUPAC Name: [4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[(5S,7R)-3-hydroxy-1-adamantyl]methanone Traditional Name: [4-(4-fluorophenyl)sulfonylpiperazino]-[(5S,7R)-3-hydroxy-1-adamantyl]methanone Formula: C21H27FN2O4S MolecularWeight: 422.513483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1C(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C21H27FN2O4S/c22-17-1-3-18(4-2-17)29(27,28)24-7-5-23(6-8-24)19(25)20-10-15-9-16(11-20)13-21(26,12-15)14-20/h1-4,15-16,26H,5-14H2/t15-,16+,20?,21?