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

Systemtic Name: ethyl 3-[[1-[bis(4-bromophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoranyl-benzoate Openeye Name: ethyl 3-[[1-[bis(4-bromophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoro-benzoate CAS Name: 3-[[1-[bis(4-bromophenyl)methyl]-3-azetidinyl]-methylsulfonylamino]-5-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[bis(4-bromophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-5-fluorobenzoate Traditional Name: 3-[[1-[bis(4-bromophenyl)methyl]azetidin-3-yl]-mesyl-amino]-5-fluoro-benzoic acid ethyl ester Formula: C26H25Br2FN2O4S MolecularWeight: 640.359103

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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)Br)C4=CC=C(C=C4)Br)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H25Br2FN2O4S/c1-3-35-26(32)19-12-22(29)14-23(13-19)31(36(2,33)34)24-15-30(16-24)25(17-4-8-20(27)9-5-17)18-6-10-21(28)11-7-18/h4-14,24-25H,3,15-16H2,1-2H3