ethanedioic acid; 1-[(2-ethoxyphenyl)methyl]-4-ethylsulfonyl-piperazine

Systemtic Name: ethanedioic acid; 1-[(2-ethoxyphenyl)methyl]-4-ethylsulfonyl-piperazine Openeye Name: 1-[(2-ethoxyphenyl)methyl]-4-ethylsulfonyl-piperazine; oxalic acid CAS Name: 1-[(2-ethoxyphenyl)methyl]-4-ethylsulfonylpiperazine; oxalic acid IUPAC Name: 1-[(2-ethoxyphenyl)methyl]-4-ethylsulfonylpiperazine; oxalic acid Traditional Name: 1-esyl-4-(2-ethoxybenzyl)piperazine; oxalic acid Formula: C17H26N2O7S MolecularWeight: 402.46254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)CC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)CC.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H24N2O3S.C2H2O4/c1-3-20-15-8-6-5-7-14(15)13-16-9-11-17(12-10-16)21(18,19)4-2;3-1(4)2(5)6/h5-8H,3-4,9-13H2,1-2H3;(H,3,4)(H,5,6)