methyl 2-[2-[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(4-fluoro-3-morpholinosulfonyl-anilino)acetyl]amino]benzoate CAS Name: 2-[[2-[4-fluoro-3-(4-morpholinylsulfonyl)anilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-fluoro-3-morpholin-4-ylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-fluoro-3-morpholinosulfonyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C20H22FN3O6S MolecularWeight: 451.468583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CNC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CNC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H22FN3O6S/c1-29-20(26)15-4-2-3-5-17(15)23-19(25)13-22-14-6-7-16(21)18(12-14)31(27,28)24-8-10-30-11-9-24/h2-7,12,22H,8-11,13H2,1H3,(H,23,25)