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

Systemtic Name: ethanedioic acid; 1-[(3-methoxyphenyl)methyl]-4-propylsulfonyl-piperazine Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-propylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-propylsulfonylpiperazine; oxalic acid Traditional Name: 1-m-anisyl-4-propylsulfonyl-piperazine; oxalic acid Formula: C17H26N2O7S MolecularWeight: 402.46254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O3S.C2H2O4/c1-3-11-21(18,19)17-9-7-16(8-10-17)13-14-5-4-6-15(12-14)20-2;3-1(4)2(5)6/h4-6,12H,3,7-11,13H2,1-2H3;(H,3,4)(H,5,6)