1-(2,5-dimethoxyphenyl)sulfonyl-4-(oxolan-2-ylmethyl)piperazine; ethanedioic acid

Systemtic Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(oxolan-2-ylmethyl)piperazine; ethanedioic acid Openeye Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(tetrahydrofuran-2-ylmethyl)piperazine; oxalic acid CAS Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(2-oxolanylmethyl)piperazine; oxalic acid IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(oxolan-2-ylmethyl)piperazine; oxalic acid Traditional Name: 1-(2,5-dimethoxyphenyl)sulfonyl-4-(tetrahydrofurfuryl)piperazine; oxalic acid Formula: C19H28N2O9S MolecularWeight: 460.49862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)CC3CCCO3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)CC3CCCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2O5S.C2H2O4/c1-22-14-5-6-16(23-2)17(12-14)25(20,21)19-9-7-18(8-10-19)13-15-4-3-11-24-15;3-1(4)2(5)6/h5-6,12,15H,3-4,7-11,13H2,1-2H3;(H,3,4)(H,5,6)