sodium 2-[5-chloranyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfamoyl)-4-methyl-phenyl]sulfanylethanoate hydrate

Systemtic Name: sodium 2-[5-chloranyl-2-(4,5-dihydro-1H-imidazol-2-ylsulfamoyl)-4-methyl-phenyl]sulfanylethanoate hydrate Openeye Name: sodium 2-[5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylsulfamoyl)-4-methyl-phenyl]sulfanylacetate hydrate CAS Name: sodium 2-[[5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylsulfamoyl)-4-methylphenyl]thio]acetate hydrate IUPAC Name: sodium 2-[5-chloro-2-(4,5-dihydro-1H-imidazol-2-ylsulfamoyl)-4-methylphenyl]sulfanylacetate hydrate Traditional Name: sodium 2-[[5-chloro-2-(2-imidazolin-2-ylsulfamoyl)-4-methyl-phenyl]thio]acetate hydrate Formula: C12H15ClN3NaO5S2 MolecularWeight: 403.83737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)SCC(=O)[O-])S(=O)(=O)NC2=NCCN2.O.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)SCC(=O)[O-])S(=O)(=O)NC2=NCCN2.O.[Na+]

InChI

InChI=1S/C12H14ClN3O4S2.Na.H2O/c1-7-4-10(9(5-8(7)13)21-6-11(17)18)22(19,20)16-12-14-2-3-15-12;;/h4-5H,2-3,6H2,1H3,(H,17,18)(H2,14,15,16);;1H2/q;+1;/p-1