(2-chloranyl-4-fluoranyl-phenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid (2-chloro-4-fluoro-benzyl) ester Formula: C18H18ClFN2O5S MolecularWeight: 428.862323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C18H18ClFN2O5S/c1-12(23)22-15-4-6-16(7-5-15)28(25,26)21-9-8-18(24)27-11-13-2-3-14(20)10-17(13)19/h2-7,10,21H,8-9,11H2,1H3,(H,22,23)