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

Systemtic Name: 4-[2-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-bromanyl-phenoxy]ethanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 4-[[2-[2-bromo-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 4-[[2-[2-bromo-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-oxoethyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 4-[[2-[2-bromo-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 4-[[2-[2-bromo-4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride; esylic acid Formula: C21H26BrFN6O7S2 MolecularWeight: 637.499543

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)Br)N)N)C

Isomeric SMILES

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)Br)N)N)C

InChI

InChI=1S/C19H20BrFN6O4S.C2H6O3S/c1-19(2)26-17(22)25-18(23)27(19)12-5-8-15(14(20)9-12)31-10-16(28)24-11-3-6-13(7-4-11)32(21,29)30;1-2-6(3,4)5/h3-9H,10H2,1-2H3,(H,24,28)(H4,22,23,25,26);2H2,1H3,(H,3,4,5)