ethanedioic acid; 2-[4-(3-morpholin-4-yl-2-oxidanyl-propyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: ethanedioic acid; 2-[4-(3-morpholin-4-yl-2-oxidanyl-propyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-hydroxy-3-morpholino-propyl)piperazin-1-yl]sulfonylbenzonitrile; oxalic acid CAS Name: 2-[[4-[2-hydroxy-3-(4-morpholinyl)propyl]-1-piperazinyl]sulfonyl]benzonitrile; oxalic acid IUPAC Name: 2-[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]sulfonylbenzonitrile; oxalic acid Traditional Name: 2-[4-(2-hydroxy-3-morpholino-propyl)piperazino]sulfonylbenzonitrile; oxalic acid Formula: C20H28N4O8S MolecularWeight: 484.52332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CN2CCOCC2)O)S(=O)(=O)C3=CC=CC=C3C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC(CN2CCOCC2)O)S(=O)(=O)C3=CC=CC=C3C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N4O4S.C2H2O4/c19-13-16-3-1-2-4-18(16)27(24,25)22-7-5-20(6-8-22)14-17(23)15-21-9-11-26-12-10-21;3-1(4)2(5)6/h1-4,17,23H,5-12,14-15H2;(H,3,4)(H,5,6)