sodium 3,5-bis[(4-methyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]benzenesulfonate

Systemtic Name: sodium 3,5-bis[(4-methyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]benzenesulfonate Openeye Name: sodium 3,5-bis[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]benzenesulfonate CAS Name: sodium 3,5-bis[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]benzenesulfonate IUPAC Name: sodium 3,5-bis[(4-anilino-6-methyl-1,3,5-triazin-2-yl)amino]benzenesulfonate Traditional Name: sodium 3,5-bis[(4-anilino-6-methyl-s-triazin-2-yl)amino]besylate Formula: C26H23N10NaO3S MolecularWeight: 578.58079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)NC2=CC(=CC(=C2)S(=O)(=O)[O-])NC3=NC(=NC(=N3)NC4=CC=CC=C4)C)NC5=CC=CC=C5.[Na+]

Isomeric SMILES

CC1=NC(=NC(=N1)NC2=CC(=CC(=C2)S(=O)(=O)[O-])NC3=NC(=NC(=N3)NC4=CC=CC=C4)C)NC5=CC=CC=C5.[Na+]

InChI

InChI=1S/C26H24N10O3S.Na/c1-16-27-23(31-18-9-5-3-6-10-18)35-25(29-16)33-20-13-21(15-22(14-20)40(37,38)39)34-26-30-17(2)28-24(36-26)32-19-11-7-4-8-12-19;/h3-15H,1-2H3,(H,37,38,39)(H2,27,29,31,33,35)(H2,28,30,32,34,36);/q;+1/p-1