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

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H18ClFN2O5S MolecularWeight: 464.894423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H18ClFN2O5S/c22-18-12-16(6-8-19(18)23)25-20(26)13-30-21(27)9-10-24-31(28,29)17-7-5-14-3-1-2-4-15(14)11-17/h1-8,11-12,24H,9-10,13H2,(H,25,26)