ethyl 3-[2-[(2-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(2-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[2-fluoro-N-(2-thienylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-[[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-[2-fluoro-N-(2-thienylsulfonyl)anilino]acetyl]amino]benzoic acid ethyl ester Formula: C21H19FN2O5S2 MolecularWeight: 462.514363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H19FN2O5S2/c1-2-29-21(26)15-7-5-8-16(13-15)23-19(25)14-24(18-10-4-3-9-17(18)22)31(27,28)20-11-6-12-30-20/h3-13H,2,14H2,1H3,(H,23,25)