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

Systemtic Name: ethanedioic acid; 1-(4-methoxyphenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-(3-phenoxybenzyl)piperazine; oxalic acid Formula: C26H28N2O8S MolecularWeight: 528.57412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26N2O4S.C2H2O4/c1-29-21-10-12-24(13-11-21)31(27,28)26-16-14-25(15-17-26)19-20-6-5-9-23(18-20)30-22-7-3-2-4-8-22;3-1(4)2(5)6/h2-13,18H,14-17,19H2,1H3;(H,3,4)(H,5,6)