3-[4-[4-[[(4-chloranyl-2-fluoranyl-phenyl)methyl-[2-methyl-3-(methylsulfonylamino)phenyl]amino]methyl]phenoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[4-[[(4-chloranyl-2-fluoranyl-phenyl)methyl-[2-methyl-3-(methylsulfonylamino)phenyl]amino]methyl]phenoxy]phenyl]propanoic acid Openeye Name: 3-[4-[4-[[N-[(4-chloro-2-fluoro-phenyl)methyl]-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenyl]propanoic acid CAS Name: 3-[4-[4-[[N-[(4-chloro-2-fluorophenyl)methyl]-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[4-[[N-[(4-chloro-2-fluorophenyl)methyl]-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenyl]propanoic acid Traditional Name: 3-[4-[4-[[N-(4-chloro-2-fluoro-benzyl)-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]phenyl]propionic acid Formula: C31H30ClFN2O5S MolecularWeight: 597.096703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N(CC2=CC=C(C=C2)OC3=CC=C(C=C3)CCC(=O)O)CC4=C(C=C(C=C4)Cl)F)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC=C1N(CC2=CC=C(C=C2)OC3=CC=C(C=C3)CCC(=O)O)CC4=C(C=C(C=C4)Cl)F)NS(=O)(=O)C

InChI

InChI=1S/C31H30ClFN2O5S/c1-21-29(34-41(2,38)39)4-3-5-30(21)35(20-24-11-12-25(32)18-28(24)33)19-23-8-15-27(16-9-23)40-26-13-6-22(7-14-26)10-17-31(36)37/h3-9,11-16,18,34H,10,17,19-20H2,1-2H3,(H,36,37)