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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CNC(=O)C(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CSC(=C1)[C@H](CNC(=O)C(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3O4S2/c21-15-3-5-16(6-4-15)30(27,28)18(17-2-1-11-29-17)13-24-20(26)19(25)23-12-14-7-9-22-10-8-14/h1-11,18H,12-13H2,(H,23,25)(H,24,26)/t18-/m0/s1