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

Systemtic Name: 4-[[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]carbonylamino]benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 4-[[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-oxomethyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 4-[[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzoyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 4-[[4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)benzoyl]amino]benzenesulfonyl fluoride; esylic acid Formula: C20H25FN6O6S2 MolecularWeight: 528.577503

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H19FN6O3S.C2H6O3S/c1-18(2)24-16(20)23-17(21)25(18)13-7-3-11(4-8-13)15(26)22-12-5-9-14(10-6-12)29(19,27)28;1-2-6(3,4)5/h3-10H,1-2H3,(H,22,26)(H4,20,21,23,24);2H2,1H3,(H,3,4,5)