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

Systemtic Name: methyl 3-[[1-[bis(4-methylphenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoranyl-benzoate Openeye Name: methyl 3-[[1-(bis-p-tolylmethyl)azetidin-3-yl]-methylsulfonyl-amino]-5-fluoro-benzoate CAS Name: 3-[[1-[bis(4-methylphenyl)methyl]-3-azetidinyl]-methylsulfonylamino]-5-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-[bis(4-methylphenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-5-fluorobenzoate Traditional Name: 3-[[1-(bis-p-tolylmethyl)azetidin-3-yl]-mesyl-amino]-5-fluoro-benzoic acid methyl ester Formula: C27H29FN2O4S MolecularWeight: 496.593563

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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)OC)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)OC)F)S(=O)(=O)C

InChI

InChI=1S/C27H29FN2O4S/c1-18-5-9-20(10-6-18)26(21-11-7-19(2)8-12-21)29-16-25(17-29)30(35(4,32)33)24-14-22(27(31)34-3)13-23(28)15-24/h5-15,25-26H,16-17H2,1-4H3