1-(2-adamantyl)-4-(4-chlorophenyl)sulfonyl-piperazine; ethanedioic acid

Systemtic Name: 1-(2-adamantyl)-4-(4-chlorophenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-(2-adamantyl)-4-(4-chlorophenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-(2-adamantyl)-4-(4-chlorophenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-(2-adamantyl)-4-(4-chlorophenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(2-adamantyl)-4-(4-chlorophenyl)sulfonyl-piperazine; oxalic acid Formula: C22H29ClN2O6S MolecularWeight: 484.99346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC=C(C=C5)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)S(=O)(=O)C5=CC=C(C=C5)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27ClN2O2S.C2H2O4/c21-18-1-3-19(4-2-18)26(24,25)23-7-5-22(6-8-23)20-16-10-14-9-15(12-16)13-17(20)11-14;3-1(4)2(5)6/h1-4,14-17,20H,5-13H2;(H,3,4)(H,5,6)