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

Systemtic Name: 3-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Openeye Name: 3-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid CAS Name: 3-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid IUPAC Name: 3-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Traditional Name: 3-[(4-anilino-6-chloro-s-triazin-2-yl)amino]besylic acid Formula: C15H12ClN5O3S MolecularWeight: 377.80548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=CC(=CC=C3)S(=O)(=O)O

InChI

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