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

Systemtic Name: ethyl 3-[[1-[bis(4-methoxyphenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoranyl-benzoate Openeye Name: ethyl 3-[[1-[bis(4-methoxyphenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoro-benzoate CAS Name: 3-[[1-[bis(4-methoxyphenyl)methyl]-3-azetidinyl]-methylsulfonylamino]-5-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[bis(4-methoxyphenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-5-fluorobenzoate Traditional Name: 3-[[1-[bis(4-methoxyphenyl)methyl]azetidin-3-yl]-mesyl-amino]-5-fluoro-benzoic acid ethyl ester Formula: C28H31FN2O6S MolecularWeight: 542.618943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)F)N(C2CN(C2)C(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)F)N(C2CN(C2)C(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)S(=O)(=O)C

InChI

InChI=1S/C28H31FN2O6S/c1-5-37-28(32)21-14-22(29)16-23(15-21)31(38(4,33)34)24-17-30(18-24)27(19-6-10-25(35-2)11-7-19)20-8-12-26(36-3)13-9-20/h6-16,24,27H,5,17-18H2,1-4H3