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

Systemtic Name: [3-[[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]-2-chloranyl-phenoxy]methyl]phenyl]-piperidin-1-yl-methanone; ethanesulfonic acid Openeye Name: [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-(1-piperidyl)methanone; ethanesulfonic acid CAS Name: [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-(1-piperidinyl)methanone; ethanesulfonic acid IUPAC Name: [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone; ethanesulfonic acid Traditional Name: [3-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1-yl)phenoxy]methyl]phenyl]-piperidino-methanone; esylic acid Formula: C26H35ClN6O5S MolecularWeight: 579.1113

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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=CC(=C3)C(=O)N4CCCCC4)Cl)N)N)C

Isomeric SMILES

CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C(=O)N4CCCCC4)Cl)N)N)C

InChI

InChI=1S/C24H29ClN6O2.C2H6O3S/c1-24(2)29-22(26)28-23(27)31(24)18-9-10-20(19(25)14-18)33-15-16-7-6-8-17(13-16)21(32)30-11-4-3-5-12-30;1-2-6(3,4)5/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H4,26,27,28,29);2H2,1H3,(H,3,4,5)