ethanedioic acid; 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonyl-piperazine Openeye Name: 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine; oxalic acid Traditional Name: 1-(4-ethoxybenzyl)-4-mesyl-piperazine; oxalic acid Formula: C16H24N2O7S MolecularWeight: 388.43596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C.C(=O)(C(=O)O)O

InChI

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