1-(2-adamantyl)-4-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(2-adamantyl)-4-(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-piperazine Openeye Name: 1-(2-adamantyl)-4-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-piperazine CAS Name: 1-(2-adamantyl)-4-(4-chloro-2,5-dimethylphenyl)sulfonylpiperazine IUPAC Name: 1-(2-adamantyl)-4-(4-chloro-2,5-dimethylphenyl)sulfonylpiperazine Traditional Name: 1-(2-adamantyl)-4-(4-chloro-2,5-dimethyl-phenyl)sulfonyl-piperazine Formula: C22H31ClN2O2S MolecularWeight: 423.01174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H31ClN2O2S/c1-14-8-21(15(2)7-20(14)23)28(26,27)25-5-3-24(4-6-25)22-18-10-16-9-17(12-18)13-19(22)11-16/h7-8,16-19,22H,3-6,9-13H2,1-2H3