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

Systemtic Name: 3-[[1-[bis(4-bromophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoranyl-benzoic acid Openeye Name: 3-[[1-[bis(4-bromophenyl)methyl]azetidin-3-yl]-methylsulfonyl-amino]-5-fluoro-benzoic acid CAS Name: 3-[[1-[bis(4-bromophenyl)methyl]-3-azetidinyl]-methylsulfonylamino]-5-fluorobenzoic acid IUPAC Name: 3-[[1-[bis(4-bromophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-5-fluorobenzoic acid Traditional Name: 3-[[1-[bis(4-bromophenyl)methyl]azetidin-3-yl]-mesyl-amino]-5-fluoro-benzoic acid Formula: C24H21Br2FN2O4S MolecularWeight: 612.305943

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(C1CN(C1)C(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)C4=CC(=CC(=C4)C(=O)O)F

Isomeric SMILES

CS(=O)(=O)N(C1CN(C1)C(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)C4=CC(=CC(=C4)C(=O)O)F

InChI

InChI=1S/C24H21Br2FN2O4S/c1-34(32,33)29(21-11-17(24(30)31)10-20(27)12-21)22-13-28(14-22)23(15-2-6-18(25)7-3-15)16-4-8-19(26)9-5-16/h2-12,22-23H,13-14H2,1H3,(H,30,31)