N'-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-yl-ethyl]-N-(3-imidazol-1-ylpropyl)ethanediamide

Systemtic Name: N'-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-yl-ethyl]-N-(3-imidazol-1-ylpropyl)ethanediamide Openeye Name: N'-[2-(4-fluorophenyl)sulfonyl-2-(3-pyridyl)ethyl]-N-(3-imidazol-1-ylpropyl)oxamide CAS Name: N'-[2-(4-fluorophenyl)sulfonyl-2-(3-pyridinyl)ethyl]-N-[3-(1-imidazolyl)propyl]oxamide IUPAC Name: N'-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-N-(3-imidazol-1-ylpropyl)oxamide Traditional Name: N'-[2-(4-fluorophenyl)sulfonyl-2-(3-pyridyl)ethyl]-N-(3-imidazol-1-ylpropyl)oxamide Formula: C21H22FN5O4S MolecularWeight: 459.493883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CNC(=O)C(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CN=C1)C(CNC(=O)C(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN5O4S/c22-17-4-6-18(7-5-17)32(30,31)19(16-3-1-8-23-13-16)14-26-21(29)20(28)25-9-2-11-27-12-10-24-15-27/h1,3-8,10,12-13,15,19H,2,9,11,14H2,(H,25,28)(H,26,29)