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

Systemtic Name: 2-azanyl-4-[[4-chloranyl-6-(2-ethenylsulfonylethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-4-[[4-chloro-6-(2-vinylsulfonylethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 2-amino-4-[[4-chloro-6-(2-ethenylsulfonylethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[[4-chloro-6-(2-ethenylsulfonylethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 2-amino-4-[[4-chloro-6-(2-vinylsulfonylethylamino)-s-triazin-2-yl]amino]besylic acid Formula: C13H15ClN6O5S2 MolecularWeight: 434.8784

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Descriptors Computed from Structure

Canonical SMILES:

C=CS(=O)(=O)CCNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)Cl

Isomeric SMILES

C=CS(=O)(=O)CCNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)O)N)Cl

InChI

InChI=1S/C13H15ClN6O5S2/c1-2-26(21,22)6-5-16-12-18-11(14)19-13(20-12)17-8-3-4-10(9(15)7-8)27(23,24)25/h2-4,7H,1,5-6,15H2,(H,23,24,25)(H2,16,17,18,19,20)