3-[(4-fluoranyl-3-methyl-phenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(4-fluoranyl-3-methyl-phenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-fluoro-3-methyl-phenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-fluoro-3-methylphenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-fluoro-3-methylphenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]propanoic acid Traditional Name: 3-[(2-fluorobenzyl)-(4-fluoro-3-methyl-phenyl)sulfonyl-amino]propionic acid Formula: C17H17F2NO4S MolecularWeight: 369.382986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(CCC(=O)O)CC2=CC=CC=C2F)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(CCC(=O)O)CC2=CC=CC=C2F)F

InChI

InChI=1S/C17H17F2NO4S/c1-12-10-14(6-7-15(12)18)25(23,24)20(9-8-17(21)22)11-13-4-2-3-5-16(13)19/h2-7,10H,8-9,11H2,1H3,(H,21,22)