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

Systemtic Name: 4-[3-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenoxy]propylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride Openeye Name: 4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride CAS Name: 4-[[[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylamino]-oxomethyl]amino]-2-methylbenzenesulfonyl fluoride IUPAC Name: 4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride Traditional Name: 4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride Formula: C22H27ClFN7O4S MolecularWeight: 540.010683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NCCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NCCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F

InChI

InChI=1S/C22H27ClFN7O4S/c1-13-11-14(5-8-18(13)36(24,33)34)28-21(32)27-9-4-10-35-17-7-6-15(12-16(17)23)31-20(26)29-19(25)30-22(31,2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H2,27,28,32)(H4,25,26,29,30)