ethyl 3-chloranyl-4-[2-[(4-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[(4-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-[4-fluoro-N-(2-thienylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-[4-fluoro-N-(2-thienylsulfonyl)anilino]acetyl]amino]benzoic acid ethyl ester Formula: C21H18ClFN2O5S2 MolecularWeight: 496.959423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C21H18ClFN2O5S2/c1-2-30-21(27)14-5-10-18(17(22)12-14)24-19(26)13-25(16-8-6-15(23)7-9-16)32(28,29)20-4-3-11-31-20/h3-12H,2,13H2,1H3,(H,24,26)