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

Systemtic Name: 3-[2-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenyl]sulfanylethanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 3-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]sulfanylacetyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 3-[[2-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]thio]-1-oxoethyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 3-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]sulfanylacetyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 3-[[2-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenyl]thio]acetyl]amino]benzenesulfonyl fluoride; esylic acid Formula: C21H26ClFN6O6S3 MolecularWeight: 609.114143

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H20ClFN6O3S2.C2H6O3S/c1-19(2)26-17(22)25-18(23)27(19)12-6-7-15(14(20)9-12)31-10-16(28)24-11-4-3-5-13(8-11)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)