[3-(4-methylphenyl)-1-adamantyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [3-(4-methylphenyl)-1-adamantyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [3-(p-tolyl)-1-adamantyl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [3-(4-methylphenyl)-1-adamantyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [3-(4-methylphenyl)-1-adamantyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [3-(p-tolyl)-1-adamantyl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C26H32N2O3S2 MolecularWeight: 484.67388

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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=CS6

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CCN(CC5)S(=O)(=O)C6=CC=CS6

InChI

InChI=1S/C26H32N2O3S2/c1-19-4-6-22(7-5-19)25-14-20-13-21(15-25)17-26(16-20,18-25)24(29)27-8-10-28(11-9-27)33(30,31)23-3-2-12-32-23/h2-7,12,20-21H,8-11,13-18H2,1H3