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

Systemtic Name: ethyl 3-[[1-[bis(4-cyanophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoranyl-benzoate Openeye Name: ethyl 3-[[1-[bis(4-cyanophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoro-benzoate CAS Name: 3-[[1-[bis(4-cyanophenyl)methyl]-3-azetidinyl]-methylsulfonylamino]-5-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[bis(4-cyanophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-5-fluorobenzoate Traditional Name: 3-[[1-[bis(4-cyanophenyl)methyl]azetidin-3-yl]-mesyl-amino]-5-fluoro-benzoic acid ethyl ester Formula: C28H25FN4O4S MolecularWeight: 532.585903

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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)C#N)C4=CC=C(C=C4)C#N)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C28H25FN4O4S/c1-3-37-28(34)23-12-24(29)14-25(13-23)33(38(2,35)36)26-17-32(18-26)27(21-8-4-19(15-30)5-9-21)22-10-6-20(16-31)7-11-22/h4-14,26-27H,3,17-18H2,1-2H3