[1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C20H22FN3O6S MolecularWeight: 451.468583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=C(C=C(C=C3)F)N

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=C(C=C(C=C3)F)N

InChI

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