1-[[4-[[3-[[3,5-bis(fluoranyl)phenyl]-methylsulfonyl-methylidene]azetidin-1-yl]-(4-chlorophenyl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[[4-[[3-[[3,5-bis(fluoranyl)phenyl]-methylsulfonyl-methylidene]azetidin-1-yl]-(4-chlorophenyl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[[4-[(4-chlorophenyl)-[3-[(3,5-difluorophenyl)-methylsulfonyl-methylene]azetidin-1-yl]methyl]phenyl]methyl]pyrrolidine-2-carboxamide CAS Name: 1-[[4-[(4-chlorophenyl)-[3-[(3,5-difluorophenyl)-methylsulfonylmethylidene]-1-azetidinyl]methyl]phenyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[[4-[(4-chlorophenyl)-[3-[(3,5-difluorophenyl)-methylsulfonylmethylidene]azetidin-1-yl]methyl]phenyl]methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[4-[(4-chlorophenyl)-[3-[(3,5-difluorophenyl)-mesyl-methylene]azetidin-1-yl]methyl]benzyl]pyrrolidine-2-carboxamide Formula: C30H30ClF2N3O3S MolecularWeight: 586.092306

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=C1CN(C1)C(C2=CC=C(C=C2)CN3CCCC3C(=O)N)C4=CC=C(C=C4)Cl)C5=CC(=CC(=C5)F)F

Isomeric SMILES

CS(=O)(=O)C(=C1CN(C1)C(C2=CC=C(C=C2)CN3CCCC3C(=O)N)C4=CC=C(C=C4)Cl)C5=CC(=CC(=C5)F)F

InChI

InChI=1S/C30H30ClF2N3O3S/c1-40(38,39)29(22-13-25(32)15-26(33)14-22)23-17-36(18-23)28(21-8-10-24(31)11-9-21)20-6-4-19(5-7-20)16-35-12-2-3-27(35)30(34)37/h4-11,13-15,27-28H,2-3,12,16-18H2,1H3,(H2,34,37)