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

Systemtic Name: 4-[3-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-1-oxopropyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 4-[3-[4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride; esylic acid Formula: C22H29FN6O6S2 MolecularWeight: 556.630663

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C

Isomeric SMILES

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C

InChI

InChI=1S/C20H23FN6O3S.C2H6O3S/c1-20(2)26-18(22)25-19(23)27(20)15-8-3-13(4-9-15)5-12-17(28)24-14-6-10-16(11-7-14)31(21,29)30;1-2-6(3,4)5/h3-4,6-11H,5,12H2,1-2H3,(H,24,28)(H4,22,23,25,26);2H2,1H3,(H,3,4,5)