4-[[[5-fluoranyl-2-methyl-4-(4-phenoxyphenyl)phenyl]-methylsulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[5-fluoranyl-2-methyl-4-(4-phenoxyphenyl)phenyl]-methylsulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[5-fluoro-2-methyl-N-methylsulfonyl-4-(4-phenoxyphenyl)anilino]methyl]benzoic acid CAS Name: 4-[[5-fluoro-2-methyl-N-methylsulfonyl-4-(4-phenoxyphenyl)anilino]methyl]benzoic acid IUPAC Name: 4-[[5-fluoro-2-methyl-N-methylsulfonyl-4-(4-phenoxyphenyl)anilino]methyl]benzoic acid Traditional Name: 4-[[5-fluoro-N-mesyl-2-methyl-4-(4-phenoxyphenyl)anilino]methyl]benzoic acid Formula: C28H24FNO5S MolecularWeight: 505.557263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=CC=C(C=C2)OC3=CC=CC=C3)F)N(CC4=CC=C(C=C4)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=CC=C(C=C2)OC3=CC=CC=C3)F)N(CC4=CC=C(C=C4)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C28H24FNO5S/c1-19-16-25(21-12-14-24(15-13-21)35-23-6-4-3-5-7-23)26(29)17-27(19)30(36(2,33)34)18-20-8-10-22(11-9-20)28(31)32/h3-17H,18H2,1-2H3,(H,31,32)