3-[[1-[bis(4-methoxyphenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoranyl-benzoic acid

Systemtic Name: 3-[[1-[bis(4-methoxyphenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoranyl-benzoic acid Openeye Name: 3-[[1-[bis(4-methoxyphenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoro-benzoic acid CAS Name: 3-[[1-[bis(4-methoxyphenyl)methyl]-3-azetidinyl]-methylsulfonylamino]-5-fluorobenzoic acid IUPAC Name: 3-[[1-[bis(4-methoxyphenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-5-fluorobenzoic acid Traditional Name: 3-[[1-[bis(4-methoxyphenyl)methyl]azetidin-3-yl]-mesyl-amino]-5-fluoro-benzoic acid Formula: C26H27FN2O6S MolecularWeight: 514.565783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3CC(C3)N(C4=CC(=CC(=C4)C(=O)O)F)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3CC(C3)N(C4=CC(=CC(=C4)C(=O)O)F)S(=O)(=O)C

InChI

InChI=1S/C26H27FN2O6S/c1-34-23-8-4-17(5-9-23)25(18-6-10-24(35-2)11-7-18)28-15-22(16-28)29(36(3,32)33)21-13-19(26(30)31)12-20(27)14-21/h4-14,22,25H,15-16H2,1-3H3,(H,30,31)