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

Systemtic Name: 4-[2-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]ethanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 4-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 4-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-1-oxoethyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 4-[[2-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]acetyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 4-[[2-[4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenyl]acetyl]amino]benzenesulfonyl fluoride; esylic acid Formula: C21H27FN6O6S2 MolecularWeight: 542.604083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN6O3S.C2H6O3S/c1-19(2)25-17(21)24-18(22)26(19)14-7-3-12(4-8-14)11-16(27)23-13-5-9-15(10-6-13)30(20,28)29;1-2-6(3,4)5/h3-10H,11H2,1-2H3,(H,23,27)(H4,21,22,24,25);2H2,1H3,(H,3,4,5)