4-[[[4-(3-fluoranyl-4-phenoxy-phenyl)-3-methyl-phenyl]-methylsulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(3-fluoranyl-4-phenoxy-phenyl)-3-methyl-phenyl]-methylsulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[4-(3-fluoro-4-phenoxy-phenyl)-3-methyl-N-methylsulfonyl-anilino]methyl]benzoic acid CAS Name: 4-[[4-(3-fluoro-4-phenoxyphenyl)-3-methyl-N-methylsulfonylanilino]methyl]benzoic acid IUPAC Name: 4-[[4-(3-fluoro-4-phenoxyphenyl)-3-methyl-N-methylsulfonylanilino]methyl]benzoic acid Traditional Name: 4-[[4-(3-fluoro-4-phenoxy-phenyl)-N-mesyl-3-methyl-anilino]methyl]benzoic acid Formula: C28H24FNO5S MolecularWeight: 505.557263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C)C3=CC(=C(C=C3)OC4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C)C3=CC(=C(C=C3)OC4=CC=CC=C4)F

InChI

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