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

Systemtic Name: 3-[[1-[bis(4-methylphenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoranyl-benzoic acid Openeye Name: 3-[[1-(bis-p-tolylmethyl)azetidin-3-yl]-methylsulfonyl-amino]-5-fluoro-benzoic acid CAS Name: 3-[[1-[bis(4-methylphenyl)methyl]-3-azetidinyl]-methylsulfonylamino]-5-fluorobenzoic acid IUPAC Name: 3-[[1-[bis(4-methylphenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-5-fluorobenzoic acid Traditional Name: 3-[[1-(bis-p-tolylmethyl)azetidin-3-yl]-mesyl-amino]-5-fluoro-benzoic acid Formula: C26H27FN2O4S MolecularWeight: 482.566983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)N3CC(C3)N(C4=CC(=CC(=C4)C(=O)O)F)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)N3CC(C3)N(C4=CC(=CC(=C4)C(=O)O)F)S(=O)(=O)C

InChI

InChI=1S/C26H27FN2O4S/c1-17-4-8-19(9-5-17)25(20-10-6-18(2)7-11-20)28-15-24(16-28)29(34(3,32)33)23-13-21(26(30)31)12-22(27)14-23/h4-14,24-25H,15-16H2,1-3H3,(H,30,31)