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

Systemtic Name: 4-[3-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenyl]propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 4-[[3-[2-chloro-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-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 4-[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride; esylic acid Formula: C22H28ClFN6O6S2 MolecularWeight: 591.075723

Click to see the large picture

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)Cl)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)Cl)N)N)C

InChI

InChI=1S/C20H22ClFN6O3S.C2H6O3S/c1-20(2)27-18(23)26-19(24)28(20)14-7-3-12(16(21)11-14)4-10-17(29)25-13-5-8-15(9-6-13)32(22,30)31;1-2-6(3,4)5/h3,5-9,11H,4,10H2,1-2H3,(H,25,29)(H4,23,24,26,27);2H2,1H3,(H,3,4,5)