N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-N'-(1,2-oxazol-3-yl)ethanediamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-N'-(1,2-oxazol-3-yl)ethanediamide Openeye Name: N'-isoxazol-3-yl-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]oxamide CAS Name: N'-(3-isoxazolyl)-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide Traditional Name: N'-isoxazol-3-yl-N-[2-(2-thienyl)-2-tosyl-ethyl]oxamide Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NC2=NOC=C2)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NC2=NOC=C2)C3=CC=CS3

InChI

InChI=1S/C18H17N3O5S2/c1-12-4-6-13(7-5-12)28(24,25)15(14-3-2-10-27-14)11-19-17(22)18(23)20-16-8-9-26-21-16/h2-10,15H,11H2,1H3,(H,19,22)(H,20,21,23)