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

Systemtic Name: ethanedioic acid; 1-[(3-phenoxyphenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid CAS Name: oxalic acid; 1-[(3-phenoxyphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-benzylsulfonyl-4-(3-phenoxybenzyl)piperazine; oxalic acid Formula: C26H28N2O7S MolecularWeight: 512.57472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26N2O3S.C2H2O4/c27-30(28,20-21-8-3-1-4-9-21)26-16-14-25(15-17-26)19-22-10-7-13-24(18-22)29-23-11-5-2-6-12-23;3-1(4)2(5)6/h1-13,18H,14-17,19-20H2;(H,3,4)(H,5,6)