ethanedioic acid; 1-[(3-phenoxyphenyl)methyl]-4-(phenylsulfonyl)piperazine

Systemtic Name: ethanedioic acid; 1-[(3-phenoxyphenyl)methyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-besyl-4-(3-phenoxybenzyl)piperazine; oxalic acid Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H24N2O3S.C2H2O4/c26-29(27,23-12-5-2-6-13-23)25-16-14-24(15-17-25)19-20-8-7-11-22(18-20)28-21-9-3-1-4-10-21;3-1(4)2(5)6/h1-13,18H,14-17,19H2;(H,3,4)(H,5,6)