[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H21FN2O5S MolecularWeight: 444.475943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)F

InChI

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