[4-(1-adamantyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-(1-adamantyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-(1-adamantyl)piperazin-1-yl]-[4-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-(1-adamantyl)-1-piperazinyl]-[4-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-(1-adamantyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-(1-adamantyl)piperazino]-(4-piperidinosulfonylphenyl)methanone Formula: C26H37N3O3S MolecularWeight: 471.65528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H37N3O3S/c30-25(23-4-6-24(7-5-23)33(31,32)29-8-2-1-3-9-29)27-10-12-28(13-11-27)26-17-20-14-21(18-26)16-22(15-20)19-26/h4-7,20-22H,1-3,8-19H2