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

Systemtic Name: ethanedioic acid; 1-[(4-ethoxyphenyl)methyl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-besyl-4-(4-ethoxybenzyl)piperazine; oxalic acid Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H24N2O3S.C2H2O4/c1-2-24-18-10-8-17(9-11-18)16-20-12-14-21(15-13-20)25(22,23)19-6-4-3-5-7-19;3-1(4)2(5)6/h3-11H,2,12-16H2,1H3;(H,3,4)(H,5,6)