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

Systemtic Name: 4-[4-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]butyl]-3-chloranyl-benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 3-chloro-4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 3-chloro-4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 3-chloro-4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 3-chloro-4-[4-[4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride; esylic acid Formula: C23H31ClFN5O5S2 MolecularWeight: 576.104143

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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)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)S(=O)(=O)F)Cl)N)N)C

InChI

InChI=1S/C21H25ClFN5O2S.C2H6O3S/c1-21(2)27-19(24)26-20(25)28(21)16-10-7-14(8-11-16)5-3-4-6-15-9-12-17(13-18(15)22)31(23,29)30;1-2-6(3,4)5/h7-13H,3-6H2,1-2H3,(H4,24,25,26,27);2H2,1H3,(H,3,4,5)