1-(4-tert-butylphenoxy)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(4-tert-butylphenoxy)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol; ethanedioic acid Openeye Name: 1-(4-tert-butylphenoxy)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol; oxalic acid CAS Name: 1-(4-tert-butylphenoxy)-3-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-propanol; oxalic acid IUPAC Name: 1-(4-tert-butylphenoxy)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol; oxalic acid Traditional Name: 1-(4-tert-butylphenoxy)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]propan-2-ol; oxalic acid Formula: C27H38N2O10S MolecularWeight: 582.66302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H36N2O6S.C2H2O4/c1-25(2,3)19-6-8-21(9-7-19)33-18-20(28)17-26-12-14-27(15-13-26)34(29,30)24-16-22(31-4)10-11-23(24)32-5;3-1(4)2(5)6/h6-11,16,20,28H,12-15,17-18H2,1-5H3;(H,3,4)(H,5,6)