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

Systemtic Name: 4-[3-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]propanoylamino]-2-methyl-benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methyl-benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 4-[[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-1-oxopropyl]amino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 4-[3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 4-[3-[4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenyl]propanoylamino]-2-methyl-benzenesulfonyl fluoride; esylic acid Formula: C23H31FN6O6S2 MolecularWeight: 570.657243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F

Isomeric SMILES

CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F

InChI

InChI=1S/C21H25FN6O3S.C2H6O3S/c1-13-12-15(7-10-17(13)32(22,30)31)25-18(29)11-6-14-4-8-16(9-5-14)28-20(24)26-19(23)27-21(28,2)3;1-2-6(3,4)5/h4-5,7-10,12H,6,11H2,1-3H3,(H,25,29)(H4,23,24,26,27);2H2,1H3,(H,3,4,5)