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

Systemtic Name: 2-[[4-(2-azanylethylamino)-6-chloranyl-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 2-[[4-(2-aminoethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 2-[[4-(2-aminoethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 2-[[4-(2-aminoethylamino)-6-chloro-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 2-[[4-(2-aminoethylamino)-6-chloro-s-triazin-2-yl]amino]besylic acid Formula: C11H13ClN6O3S MolecularWeight: 344.77732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN6O3S/c12-9-16-10(14-6-5-13)18-11(17-9)15-7-3-1-2-4-8(7)22(19,20)21/h1-4H,5-6,13H2,(H,19,20,21)(H2,14,15,16,17,18)