4-[[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenoxy]methyl]-N,N-dimethyl-benzenesulfonamide; ethanesulfonic acid

Systemtic Name: 4-[[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenoxy]methyl]-N,N-dimethyl-benzenesulfonamide; ethanesulfonic acid Openeye Name: 4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N,N-dimethyl-benzenesulfonamide; ethanesulfonic acid CAS Name: 4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N,N-dimethylbenzenesulfonamide; ethanesulfonic acid IUPAC Name: 4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]-N,N-dimethylbenzenesulfonamide; ethanesulfonic acid Traditional Name: 4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenoxy]methyl]-N,N-dimethyl-benzenesulfonamide; esylic acid Formula: C22H31ClN6O6S2 MolecularWeight: 575.10114

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC=C(C=C3)S(=O)(=O)N(C)C)Cl)N)N)C

Isomeric SMILES

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC=C(C=C3)S(=O)(=O)N(C)C)Cl)N)N)C

InChI

InChI=1S/C20H25ClN6O3S.C2H6O3S/c1-20(2)25-18(22)24-19(23)27(20)14-7-10-17(16(21)11-14)30-12-13-5-8-15(9-6-13)31(28,29)26(3)4;1-2-6(3,4)5/h5-11H,12H2,1-4H3,(H4,22,23,24,25);2H2,1H3,(H,3,4,5)