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

Systemtic Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanone Openeye Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone CAS Name: 1-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone IUPAC Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone Traditional Name: 1-[4-(3-bromophenyl)sulfonylpiperazino]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone Formula: C22H29BrN2O4S MolecularWeight: 497.44566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29BrN2O4S/c23-18-2-1-3-19(9-18)30(28,29)25-6-4-24(5-7-25)20(26)14-21-10-16-8-17(11-21)13-22(27,12-16)15-21/h1-3,9,16-17,27H,4-8,10-15H2/t16-,17+,21?,22?