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

Systemtic Name: methyl 3-[2-[(2-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H17FN2O5S2 MolecularWeight: 448.487783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN2O5S2/c1-28-20(25)14-6-4-7-15(12-14)22-18(24)13-23(17-9-3-2-8-16(17)21)30(26,27)19-10-5-11-29-19/h2-12H,13H2,1H3,(H,22,24)