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

Systemtic Name: methyl 4-chloranyl-3-[2-[(4-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[4-fluoro-N-(2-thienylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[4-fluoro-N-(2-thienylsulfonyl)anilino]acetyl]amino]benzoic acid methyl ester Formula: C20H16ClFN2O5S2 MolecularWeight: 482.932843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClFN2O5S2/c1-29-20(26)13-4-9-16(21)17(11-13)23-18(25)12-24(15-7-5-14(22)6-8-15)31(27,28)19-3-2-10-30-19/h2-11H,12H2,1H3,(H,23,25)