ethanedioic acid; 2-[4-[1-phenyl-2-(phenylsulfonylamino)ethyl]piperazin-1-yl]-N-propyl-ethanamide

Systemtic Name: ethanedioic acid; 2-[4-[1-phenyl-2-(phenylsulfonylamino)ethyl]piperazin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-(benzenesulfonamido)-1-phenyl-ethyl]piperazin-1-yl]-N-propyl-acetamide; oxalic acid CAS Name: 2-[4-[2-(benzenesulfonamido)-1-phenylethyl]-1-piperazinyl]-N-propylacetamide; oxalic acid IUPAC Name: 2-[4-[2-(benzenesulfonamido)-1-phenylethyl]piperazin-1-yl]-N-propylacetamide; oxalic acid Traditional Name: 2-[4-[2-(benzenesulfonamido)-1-phenyl-ethyl]piperazino]-N-propyl-acetamide; oxalic acid Formula: C27H36N4O11S MolecularWeight: 624.65994

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCNC(=O)CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H32N4O3S.2C2H2O4/c1-2-13-24-23(28)19-26-14-16-27(17-15-26)22(20-9-5-3-6-10-20)18-25-31(29,30)21-11-7-4-8-12-21;2*3-1(4)2(5)6/h3-12,22,25H,2,13-19H2,1H3,(H,24,28);2*(H,3,4)(H,5,6)