1-adamantyl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 1-adamantyl-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]methanone Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2O5S/c1-29-19-3-4-20(30-2)21(12-19)31(27,28)25-7-5-24(6-8-25)22(26)23-13-16-9-17(14-23)11-18(10-16)15-23/h3-4,12,16-18H,5-11,13-15H2,1-2H3