ethanedioic acid; 2-[4-[4-phenyl-4-(phenylsulfonyl)butyl]piperazin-1-yl]pyrimidine

Systemtic Name: ethanedioic acid; 2-[4-[4-phenyl-4-(phenylsulfonyl)butyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[4-(benzenesulfonyl)-4-phenyl-butyl]piperazin-1-yl]pyrimidine; oxalic acid CAS Name: 2-[4-[4-(benzenesulfonyl)-4-phenylbutyl]-1-piperazinyl]pyrimidine; oxalic acid IUPAC Name: 2-[4-[4-(benzenesulfonyl)-4-phenylbutyl]piperazin-1-yl]pyrimidine; oxalic acid Traditional Name: 2-[4-(4-besyl-4-phenyl-butyl)piperazino]pyrimidine; oxalic acid Formula: C26H30N4O6S MolecularWeight: 526.6046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=NC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C4=NC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H28N4O2S.C2H2O4/c29-31(30,22-11-5-2-6-12-22)23(21-9-3-1-4-10-21)13-7-16-27-17-19-28(20-18-27)24-25-14-8-15-26-24;3-1(4)2(5)6/h1-6,8-12,14-15,23H,7,13,16-20H2;(H,3,4)(H,5,6)