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

Systemtic Name: 1-adamantyl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 1-adamantyl-(4-tosylpiperazino)methanone Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N2O3S/c1-16-2-4-20(5-3-16)28(26,27)24-8-6-23(7-9-24)21(25)22-13-17-10-18(14-22)12-19(11-17)15-22/h2-5,17-19H,6-15H2,1H3