1-(3-azanylazetidin-1-yl)-2-[4-chloranyl-2-(2-chloranyl-4-methylsulfonyl-phenoxy)phenoxy]ethanone

Systemtic Name: 1-(3-azanylazetidin-1-yl)-2-[4-chloranyl-2-(2-chloranyl-4-methylsulfonyl-phenoxy)phenoxy]ethanone Openeye Name: 1-(3-aminoazetidin-1-yl)-2-[4-chloro-2-(2-chloro-4-methylsulfonyl-phenoxy)phenoxy]ethanone CAS Name: 1-(3-amino-1-azetidinyl)-2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)phenoxy]ethanone IUPAC Name: 1-(3-aminoazetidin-1-yl)-2-[4-chloro-2-(2-chloro-4-methylsulfonylphenoxy)phenoxy]ethanone Traditional Name: 1-(3-aminoazetidin-1-yl)-2-[4-chloro-2-(2-chloro-4-mesyl-phenoxy)phenoxy]ethanone Formula: C18H18Cl2N2O5S MolecularWeight: 445.31692

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=C(C=CC(=C2)Cl)OCC(=O)N3CC(C3)N)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=C(C=CC(=C2)Cl)OCC(=O)N3CC(C3)N)Cl

InChI

InChI=1S/C18H18Cl2N2O5S/c1-28(24,25)13-3-5-15(14(20)7-13)27-17-6-11(19)2-4-16(17)26-10-18(23)22-8-12(21)9-22/h2-7,12H,8-10,21H2,1H3