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

Systemtic Name: 2-azanyl-4-[(4-chloranyl-6-phenylazanyl-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Openeye Name: 2-amino-4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-[(4-anilino-6-chloro-s-triazin-2-yl)amino]besylic acid Formula: C15H13ClN6O3S MolecularWeight: 392.82012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClN6O3S/c16-13-20-14(18-9-4-2-1-3-5-9)22-15(21-13)19-10-6-7-12(11(17)8-10)26(23,24)25/h1-8H,17H2,(H,23,24,25)(H2,18,19,20,21,22)