[1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: [1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoroanilino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-(3-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21FN2O5S MolecularWeight: 444.475943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)F)OC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)F)OC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H21FN2O5S/c1-15(22(27)25-19-8-4-7-18(23)14-19)30-21(26)11-12-24-31(28,29)20-10-9-16-5-2-3-6-17(16)13-20/h2-10,13-15,24H,11-12H2,1H3,(H,25,27)