N-tert-butyl-2-[4-[2-[(Z)-C-cyano-N-methoxy-carbonimidoyl]-3-oxidanylidene-heptyl]-3-fluoranyl-phenyl]-4-propyl-benzenesulfonamide

Systemtic Name: N-tert-butyl-2-[4-[2-[(Z)-C-cyano-N-methoxy-carbonimidoyl]-3-oxidanylidene-heptyl]-3-fluoranyl-phenyl]-4-propyl-benzenesulfonamide Openeye Name: (1Z)-2-[[4-[2-(tert-butylsulfamoyl)-5-propyl-phenyl]-2-fluoro-phenyl]methyl]-N-methoxy-3-oxo-heptanimidoyl cyanide CAS Name: N-tert-butyl-2-[4-[2-[(Z)-cyano(methoxyimino)methyl]-3-oxoheptyl]-3-fluorophenyl]-4-propylbenzenesulfonamide IUPAC Name: (1Z)-2-[[4-[2-(tert-butylsulfamoyl)-5-propylphenyl]-2-fluorophenyl]methyl]-N-methoxy-3-oxoheptanimidoyl cyanide Traditional Name: N-tert-butyl-2-[4-[2-[(Z)-C-cyano-N-methoxy-carbonimidoyl]-3-keto-heptyl]-3-fluoro-phenyl]-4-propyl-benzenesulfonamide Formula: C29H38FN3O4S MolecularWeight: 543.693123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CC1=C(C=C(C=C1)C2=C(C=CC(=C2)CCC)S(=O)(=O)NC(C)(C)C)F)C(=NOC)C#N

Isomeric SMILES

CCCCC(=O)C(CC1=C(C=C(C=C1)C2=C(C=CC(=C2)CCC)S(=O)(=O)NC(C)(C)C)F)/C(=N/OC)/C#N

InChI

InChI=1S/C29H38FN3O4S/c1-7-9-11-27(34)24(26(19-31)32-37-6)17-22-14-13-21(18-25(22)30)23-16-20(10-8-2)12-15-28(23)38(35,36)33-29(3,4)5/h12-16,18,24,33H,7-11,17H2,1-6H3/b32-26+