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

Systemtic Name: 4-[4-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenoxy]butoxy]benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 4-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride; esylic acid Formula: C23H31ClFN5O7S2 MolecularWeight: 608.102943

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCCOC3=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)OCCCCOC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C

InChI

InChI=1S/C21H25ClFN5O4S.C2H6O3S/c1-21(2)27-19(24)26-20(25)28(21)14-5-10-18(17(22)13-14)32-12-4-3-11-31-15-6-8-16(9-7-15)33(23,29)30;1-2-6(3,4)5/h5-10,13H,3-4,11-12H2,1-2H3,(H4,24,25,26,27);2H2,1H3,(H,3,4,5)