4-[4-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenyl]butyl]benzenesulfonyl fluoride

Systemtic Name: 4-[4-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenyl]butyl]benzenesulfonyl fluoride Openeye Name: 4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride CAS Name: 4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride IUPAC Name: 4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride Traditional Name: 4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride Formula: C21H25ClFN5O2S MolecularWeight: 465.971903

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C

Isomeric SMILES

CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C

InChI

InChI=1S/C21H25ClFN5O2S/c1-21(2)27-19(24)26-20(25)28(21)16-10-9-15(18(22)13-16)6-4-3-5-14-7-11-17(12-8-14)31(23,29)30/h7-13H,3-6H2,1-2H3,(H4,24,25,26,27)