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

Systemtic Name: ethanedioic acid; 1-ethylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine Openeye Name: 1-ethylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid CAS Name: 1-ethylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-ethylsulfonyl-4-[(3-phenoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-esyl-4-(3-phenoxybenzyl)piperazine; oxalic acid Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

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