ethanedioic acid; 1-(2-ethylphenyl)-4-[4-phenyl-4-(phenylsulfonyl)butyl]piperazine

Systemtic Name: ethanedioic acid; 1-(2-ethylphenyl)-4-[4-phenyl-4-(phenylsulfonyl)butyl]piperazine Openeye Name: 1-[4-(benzenesulfonyl)-4-phenyl-butyl]-4-(2-ethylphenyl)piperazine; oxalic acid CAS Name: 1-[4-(benzenesulfonyl)-4-phenylbutyl]-4-(2-ethylphenyl)piperazine; oxalic acid IUPAC Name: 1-[4-(benzenesulfonyl)-4-phenylbutyl]-4-(2-ethylphenyl)piperazine; oxalic acid Traditional Name: 1-(4-besyl-4-phenyl-butyl)-4-(2-ethylphenyl)piperazine; oxalic acid Formula: C30H36N2O6S MolecularWeight: 552.68164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CCN(CC2)CCCC(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=CC=C1N2CCN(CC2)CCCC(C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H34N2O2S.C2H2O4/c1-2-24-12-9-10-17-27(24)30-22-20-29(21-23-30)19-11-18-28(25-13-5-3-6-14-25)33(31,32)26-15-7-4-8-16-26;3-1(4)2(5)6/h3-10,12-17,28H,2,11,18-23H2,1H3;(H,3,4)(H,5,6)