ethyl 3-[(2-chlorophenyl)methyl-(4-fluoranyl-3-methyl-phenyl)sulfonyl-amino]propanoate

Systemtic Name: ethyl 3-[(2-chlorophenyl)methyl-(4-fluoranyl-3-methyl-phenyl)sulfonyl-amino]propanoate Openeye Name: ethyl 3-[(2-chlorophenyl)methyl-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]propanoate CAS Name: 3-[(2-chlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2-chlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2-chlorobenzyl)-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]propionic acid ethyl ester Formula: C19H21ClFNO4S MolecularWeight: 413.890743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1Cl)S(=O)(=O)C2=CC(=C(C=C2)F)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1Cl)S(=O)(=O)C2=CC(=C(C=C2)F)C

InChI

InChI=1S/C19H21ClFNO4S/c1-3-26-19(23)10-11-22(13-15-6-4-5-7-17(15)20)27(24,25)16-8-9-18(21)14(2)12-16/h4-9,12H,3,10-11,13H2,1-2H3