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

Systemtic Name: 5-[2-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenyl]ethyl]-2-chloranyl-benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 2-chloro-5-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 2-chloro-5-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 2-chloro-5-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 2-chloro-5-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride; esylic acid Formula: C21H26Cl2FN5O5S2 MolecularWeight: 582.496043

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC3=CC(=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)CCC3=CC(=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C

InChI

InChI=1S/C19H20Cl2FN5O2S.C2H6O3S/c1-19(2)26-17(23)25-18(24)27(19)13-7-6-12(15(21)10-13)5-3-11-4-8-14(20)16(9-11)30(22,28)29;1-2-6(3,4)5/h4,6-10H,3,5H2,1-2H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)