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

Systemtic Name: 2-[4-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenyl]butyl]-5-chloranyl-benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 5-chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 5-chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 5-chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 5-chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; esylic acid Formula: C23H30Cl2FN5O5S2 MolecularWeight: 610.549203

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=C(C=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C

Isomeric SMILES

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=C(C=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C

InChI

InChI=1S/C21H24Cl2FN5O2S.C2H6O3S/c1-21(2)28-19(25)27-20(26)29(21)16-10-8-13(17(23)12-16)5-3-4-6-14-7-9-15(22)11-18(14)32(24,30)31;1-2-6(3,4)5/h7-12H,3-6H2,1-2H3,(H4,25,26,27,28);2H2,1H3,(H,3,4,5)