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

Systemtic Name: sodium 4-[(4-chloranyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]benzenesulfonate Openeye Name: sodium 4-[(4-chloro-6-isopropoxy-1,3,5-triazin-2-yl)amino]benzenesulfonate CAS Name: sodium 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]benzenesulfonate IUPAC Name: sodium 4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]benzenesulfonate Traditional Name: sodium 4-[(4-chloro-6-isopropoxy-s-triazin-2-yl)amino]besylate Formula: C12H12ClN4NaO4S MolecularWeight: 366.75585

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.[Na+]

Isomeric SMILES

CC(C)OC1=NC(=NC(=N1)NC2=CC=C(C=C2)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C12H13ClN4O4S.Na/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);/q;+1/p-1