3-[[1-[bis(4-chlorophenyl)methyl]-3-oxidanyl-azetidin-3-yl]-methylsulfonyl-methyl]benzenecarbonitrile

Systemtic Name: 3-[[1-[bis(4-chlorophenyl)methyl]-3-oxidanyl-azetidin-3-yl]-methylsulfonyl-methyl]benzenecarbonitrile Openeye Name: 3-[[1-[bis(4-chlorophenyl)methyl]-3-hydroxy-azetidin-3-yl]-methylsulfonyl-methyl]benzonitrile CAS Name: 3-[[1-[bis(4-chlorophenyl)methyl]-3-hydroxy-3-azetidinyl]-methylsulfonylmethyl]benzonitrile IUPAC Name: 3-[[1-[bis(4-chlorophenyl)methyl]-3-hydroxyazetidin-3-yl]-methylsulfonylmethyl]benzonitrile Traditional Name: 3-[[1-[bis(4-chlorophenyl)methyl]-3-hydroxy-azetidin-3-yl]-mesyl-methyl]benzonitrile Formula: C25H22Cl2N2O3S MolecularWeight: 501.42478

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(C1=CC=CC(=C1)C#N)C2(CN(C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CS(=O)(=O)C(C1=CC=CC(=C1)C#N)C2(CN(C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C25H22Cl2N2O3S/c1-33(31,32)24(20-4-2-3-17(13-20)14-28)25(30)15-29(16-25)23(18-5-9-21(26)10-6-18)19-7-11-22(27)12-8-19/h2-13,23-24,30H,15-16H2,1H3