1-adamantyl-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 1-adamantyl-(4-benzylsulfonylpiperazin-1-yl)methanone CAS Name: 1-adamantyl-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-(4-benzylsulfonylpiperazin-1-yl)methanone Traditional Name: 1-adamantyl-(4-benzylsulfonylpiperazino)methanone Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C22H30N2O3S/c25-21(22-13-18-10-19(14-22)12-20(11-18)15-22)23-6-8-24(9-7-23)28(26,27)16-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2