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

Systemtic Name: 1-(2-adamantyl)-4-(4-methoxyphenyl)sulfonyl-piperazine; ethanedioic acid Openeye Name: 1-(2-adamantyl)-4-(4-methoxyphenyl)sulfonyl-piperazine; oxalic acid CAS Name: 1-(2-adamantyl)-4-(4-methoxyphenyl)sulfonylpiperazine; oxalic acid IUPAC Name: 1-(2-adamantyl)-4-(4-methoxyphenyl)sulfonylpiperazine; oxalic acid Traditional Name: 1-(2-adamantyl)-4-(4-methoxyphenyl)sulfonyl-piperazine; oxalic acid Formula: C23H32N2O7S MolecularWeight: 480.57438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3C4CC5CC(C4)CC3C5.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3C4CC5CC(C4)CC3C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H30N2O3S.C2H2O4/c1-26-19-2-4-20(5-3-19)27(24,25)23-8-6-22(7-9-23)21-17-11-15-10-16(13-17)14-18(21)12-15;3-1(4)2(5)6/h2-5,15-18,21H,6-14H2,1H3;(H,3,4)(H,5,6)