N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-2,5-difluoro-benzenesulfonamide CAS Name: N-[2-(butylamino)-5-(4-morpholinylsulfonyl)phenyl]-2,5-difluorobenzenesulfonamide IUPAC Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2,5-difluorobenzenesulfonamide Traditional Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-2,5-difluoro-benzenesulfonamide Formula: C20H25F2N3O5S2 MolecularWeight: 489.556406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C20H25F2N3O5S2/c1-2-3-8-23-18-7-5-16(32(28,29)25-9-11-30-12-10-25)14-19(18)24-31(26,27)20-13-15(21)4-6-17(20)22/h4-7,13-14,23-24H,2-3,8-12H2,1H3