2,6-dimethoxy-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]phenol; ethanedioic acid

Systemtic Name: 2,6-dimethoxy-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]phenol; ethanedioic acid Openeye Name: 2,6-dimethoxy-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]phenol; oxalic acid CAS Name: 2,6-dimethoxy-4-[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]methyl]phenol; oxalic acid IUPAC Name: 2,6-dimethoxy-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]phenol; oxalic acid Traditional Name: 2,6-dimethoxy-4-[[4-(4-methoxyphenyl)sulfonylpiperazino]methyl]phenol; oxalic acid Formula: C22H28N2O10S MolecularWeight: 512.53012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6S.C2H2O4/c1-26-16-4-6-17(7-5-16)29(24,25)22-10-8-21(9-11-22)14-15-12-18(27-2)20(23)19(13-15)28-3;3-1(4)2(5)6/h4-7,12-13,23H,8-11,14H2,1-3H3;(H,3,4)(H,5,6)