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

Systemtic Name: 2-azanyl-4-[(4-chloranyl-6-phenoxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(4-chloro-6-phenoxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(4-chloro-6-phenoxy-s-triazin-2-yl)amino]besylic acid Formula: C15H12ClN5O4S MolecularWeight: 393.80488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=NC(=NC(=N2)NC3=CC(=C(C=C3)S(=O)(=O)O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=NC(=NC(=N2)NC3=CC(=C(C=C3)S(=O)(=O)O)N)Cl

InChI

InChI=1S/C15H12ClN5O4S/c16-13-19-14(21-15(20-13)25-10-4-2-1-3-5-10)18-9-6-7-12(11(17)8-9)26(22,23)24/h1-8H,17H2,(H,22,23,24)(H,18,19,20,21)