N-[6-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)hexyl]-2,4-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-[6-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)hexyl]-2,4-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[6-(4,5-dihydro-[1]benzothiepino[5,4-d]thiazol-2-ylamino)hexyl]-2,4-difluoro-benzenesulfonamide CAS Name: N-[6-(4,5-dihydro-[1]benzothiepino[5,4-d]thiazol-2-ylamino)hexyl]-2,4-difluorobenzenesulfonamide IUPAC Name: N-[6-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)hexyl]-2,4-difluorobenzenesulfonamide Traditional Name: N-[6-(4,5-dihydro-[1]benzothiepino[5,4-d]thiazol-2-ylamino)hexyl]-2,4-difluoro-benzenesulfonamide Formula: C23H25F2N3O2S3 MolecularWeight: 509.655306

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C3=C1SC(=N3)NCCCCCCNS(=O)(=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CSC2=CC=CC=C2C3=C1SC(=N3)NCCCCCCNS(=O)(=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C23H25F2N3O2S3/c24-16-9-10-21(18(25)15-16)33(29,30)27-13-6-2-1-5-12-26-23-28-22-17-7-3-4-8-19(17)31-14-11-20(22)32-23/h3-4,7-10,15,27H,1-2,5-6,11-14H2,(H,26,28)