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

Systemtic Name: 4-[(4-chloranyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Openeye Name: 4-[(4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid CAS Name: 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid IUPAC Name: 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]benzenesulfonic acid Traditional Name: 4-[(4-chloro-6-isopropoxy-s-triazin-2-yl)amino]besylic acid Formula: C12H13ClN4O4S MolecularWeight: 344.77402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)O)Cl

Isomeric SMILES

CC(C)OC1=NC(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)O)Cl

InChI

InChI=1S/C12H13ClN4O4S/c1-7(2)21-12-16-10(13)15-11(17-12)14-8-3-5-9(6-4-8)22(18,19)20/h3-7H,1-2H3,(H,18,19,20)(H,14,15,16,17)