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

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-[(3-methoxyphenyl)methyl]piperazine Openeye Name: 1-ethylsulfonyl-4-[(3-methoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-ethylsulfonyl-4-[(3-methoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-ethylsulfonyl-4-[(3-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-esyl-4-m-anisyl-piperazine; oxalic acid Formula: C16H24N2O7S MolecularWeight: 388.43596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O3S.C2H2O4/c1-3-20(17,18)16-9-7-15(8-10-16)12-13-5-4-6-14(11-13)19-2;3-1(4)2(5)6/h4-6,11H,3,7-10,12H2,1-2H3;(H,3,4)(H,5,6)