5-[4-[3,4-bis(fluoranyl)phenoxy]butyl]-4-piperidin-4-yl-4H-3,1-benzothiazin-2-amine

Systemtic Name: 5-[4-[3,4-bis(fluoranyl)phenoxy]butyl]-4-piperidin-4-yl-4H-3,1-benzothiazin-2-amine Openeye Name: 5-[4-(3,4-difluorophenoxy)butyl]-4-(4-piperidyl)-4H-3,1-benzothiazin-2-amine CAS Name: 5-[4-(3,4-difluorophenoxy)butyl]-4-(4-piperidinyl)-4H-3,1-benzothiazin-2-amine IUPAC Name: 5-[4-(3,4-difluorophenoxy)butyl]-4-piperidin-4-yl-4H-3,1-benzothiazin-2-amine Traditional Name: [5-[4-(3,4-difluorophenoxy)butyl]-4-(4-piperidyl)-4H-3,1-benzothiazin-2-yl]amine Formula: C23H27F2N3OS MolecularWeight: 431.541786

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2C3=C(C=CC=C3N=C(S2)N)CCCCOC4=CC(=C(C=C4)F)F

Isomeric SMILES

C1CNCCC1C2C3=C(C=CC=C3N=C(S2)N)CCCCOC4=CC(=C(C=C4)F)F

InChI

InChI=1S/C23H27F2N3OS/c24-18-8-7-17(14-19(18)25)29-13-2-1-4-15-5-3-6-20-21(15)22(30-23(26)28-20)16-9-11-27-12-10-16/h3,5-8,14,16,22,27H,1-2,4,9-13H2,(H2,26,28)