(2-chloranyl-6-fluoranyl-phenyl)methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,4-dimethylphenyl)sulfonylamino]propanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 3-[(2,4-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,4-dimethylphenyl)sulfonylamino]propionic acid (2-chloro-6-fluoro-benzyl) ester Formula: C18H19ClFNO4S MolecularWeight: 399.864163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(C=CC=C2Cl)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(C=CC=C2Cl)F)C

InChI

InChI=1S/C18H19ClFNO4S/c1-12-6-7-17(13(2)10-12)26(23,24)21-9-8-18(22)25-11-14-15(19)4-3-5-16(14)20/h3-7,10,21H,8-9,11H2,1-2H3