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

Systemtic Name: sodium 2-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]benzenesulfonate Openeye Name: sodium 2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonate CAS Name: sodium 2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonate IUPAC Name: sodium 2-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonate Traditional Name: sodium 2-[(4-anilino-6-chloro-s-triazin-2-yl)amino]besylate Formula: C15H11ClN5NaO3S MolecularWeight: 399.78731

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC=CC=C3S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC=CC=C3S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H12ClN5O3S.Na/c16-13-19-14(17-10-6-2-1-3-7-10)21-15(20-13)18-11-8-4-5-9-12(11)25(22,23)24;/h1-9H,(H,22,23,24)(H2,17,18,19,20,21);/q;+1/p-1