methyl 4-chloranyl-3-[2-[(4-fluorophenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[(4-fluorophenyl)sulfonyl-phenyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(N-(4-fluorophenyl)sulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]benzoic acid methyl ester Formula: C22H18ClFN2O5S MolecularWeight: 476.905123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClFN2O5S/c1-31-22(28)15-7-12-19(23)20(13-15)25-21(27)14-26(17-5-3-2-4-6-17)32(29,30)18-10-8-16(24)9-11-18/h2-13H,14H2,1H3,(H,25,27)