[3-(4-methylphenyl)-1-adamantyl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: [3-(4-methylphenyl)-1-adamantyl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[3-(p-tolyl)-1-adamantyl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[3-(4-methylphenyl)-1-adamantyl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylphenyl)-1-adamantyl]methanone Traditional Name: (4-besylpiperazino)-[3-(p-tolyl)-1-adamantyl]methanone Formula: C28H34N2O3S MolecularWeight: 478.64616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C28H34N2O3S/c1-21-7-9-24(10-8-21)27-16-22-15-23(17-27)19-28(18-22,20-27)26(31)29-11-13-30(14-12-29)34(32,33)25-5-3-2-4-6-25/h2-10,22-23H,11-20H2,1H3