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

Systemtic Name: 4-[[3-[[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenoxy]methyl]phenyl]carbonylamino]benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 4-[[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 4-[[[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-oxomethyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 4-[[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 4-[[3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenoxy]methyl]benzoyl]amino]benzenesulfonyl fluoride; esylic acid Formula: C27H30ClFN6O7S2 MolecularWeight: 669.144503

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)F)Cl)N)N)C

Isomeric SMILES

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)F)Cl)N)N)C

InChI

InChI=1S/C25H24ClFN6O4S.C2H6O3S/c1-25(2)32-23(28)31-24(29)33(25)18-8-11-21(20(26)13-18)37-14-15-4-3-5-16(12-15)22(34)30-17-6-9-19(10-7-17)38(27,35)36;1-2-6(3,4)5/h3-13H,14H2,1-2H3,(H,30,34)(H4,28,29,31,32);2H2,1H3,(H,3,4,5)