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

Systemtic Name: 2,6-dimethoxy-4-[(4-propylsulfonylpiperazin-1-yl)methyl]phenol; ethanedioic acid Openeye Name: 2,6-dimethoxy-4-[(4-propylsulfonylpiperazin-1-yl)methyl]phenol; oxalic acid CAS Name: 2,6-dimethoxy-4-[(4-propylsulfonyl-1-piperazinyl)methyl]phenol; oxalic acid IUPAC Name: 2,6-dimethoxy-4-[(4-propylsulfonylpiperazin-1-yl)methyl]phenol; oxalic acid Traditional Name: 2,6-dimethoxy-4-[(4-propylsulfonylpiperazino)methyl]phenol; oxalic acid Formula: C18H28N2O9S MolecularWeight: 448.48792

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C(=C2)OC)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)CC2=CC(=C(C(=C2)OC)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H26N2O5S.C2H2O4/c1-4-9-24(20,21)18-7-5-17(6-8-18)12-13-10-14(22-2)16(19)15(11-13)23-3;3-1(4)2(5)6/h10-11,19H,4-9,12H2,1-3H3;(H,3,4)(H,5,6)