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

Systemtic Name: 2-[4-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]butanoylamino]benzenesulfonyl fluoride Openeye Name: 2-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl fluoride CAS Name: 2-[[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-1-oxobutyl]amino]benzenesulfonyl fluoride IUPAC Name: 2-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl fluoride Traditional Name: 2-[4-[4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl fluoride Formula: C21H25FN6O3S MolecularWeight: 460.525003

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCC(=O)NC3=CC=CC=C3S(=O)(=O)F)N)N)C

Isomeric SMILES

CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCC(=O)NC3=CC=CC=C3S(=O)(=O)F)N)N)C

InChI

InChI=1S/C21H25FN6O3S/c1-21(2)27-19(23)26-20(24)28(21)15-12-10-14(11-13-15)6-5-9-18(29)25-16-7-3-4-8-17(16)32(22,30)31/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,25,29)(H4,23,24,26,27)