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

Systemtic Name: ethanedioic acid; 1-phenyl-4-[4-phenyl-4-(phenylsulfonyl)butyl]piperazine Openeye Name: 1-[4-(benzenesulfonyl)-4-phenyl-butyl]-4-phenyl-piperazine; oxalic acid CAS Name: 1-[4-(benzenesulfonyl)-4-phenylbutyl]-4-phenylpiperazine; oxalic acid IUPAC Name: 1-[4-(benzenesulfonyl)-4-phenylbutyl]-4-phenylpiperazine; oxalic acid Traditional Name: 1-(4-besyl-4-phenyl-butyl)-4-phenyl-piperazine; oxalic acid Formula: C28H32N2O6S MolecularWeight: 524.62848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H30N2O2S.C2H2O4/c29-31(30,25-15-8-3-9-16-25)26(23-11-4-1-5-12-23)17-10-18-27-19-21-28(22-20-27)24-13-6-2-7-14-24;3-1(4)2(5)6/h1-9,11-16,26H,10,17-22H2;(H,3,4)(H,5,6)