N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-yl-ethyl]-N-(pyridin-3-ylmethyl)ethanediamide

Systemtic Name: N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-yl-ethyl]-N-(pyridin-3-ylmethyl)ethanediamide Openeye Name: N'-[2-(4-fluorophenyl)sulfonyl-2-(2-thienyl)ethyl]-N-(3-pyridylmethyl)oxamide CAS Name: N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(3-pyridinylmethyl)oxamide IUPAC Name: N'-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(pyridin-3-ylmethyl)oxamide Traditional Name: N'-[2-(4-fluorophenyl)sulfonyl-2-(2-thienyl)ethyl]-N-(3-pyridylmethyl)oxamide Formula: C20H18FN3O4S2 MolecularWeight: 447.503023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)C(=O)NCC(C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3O4S2/c21-15-5-7-16(8-6-15)30(27,28)18(17-4-2-10-29-17)13-24-20(26)19(25)23-12-14-3-1-9-22-11-14/h1-11,18H,12-13H2,(H,23,25)(H,24,26)