N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-3,5-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-3,5-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-3,5-difluoro-benzenesulfonamide CAS Name: N-[2-(butylamino)-5-(4-morpholinylsulfonyl)phenyl]-3,5-difluorobenzenesulfonamide IUPAC Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-3,5-difluorobenzenesulfonamide Traditional Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-3,5-difluoro-benzenesulfonamide Formula: C20H25F2N3O5S2 MolecularWeight: 489.556406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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