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

Systemtic Name: methyl 2-[2-[(2-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[2-fluoro-N-(2-thienylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 2-[[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-[2-fluoro-N-(2-thienylsulfonyl)anilino]acetyl]amino]benzoic acid methyl ester Formula: C20H17FN2O5S2 MolecularWeight: 448.487783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=CC=C2F)S(=O)(=O)C3=CC=CS3

InChI

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