[7-chloranyl-6-(2-dimethylaminoethylsulfamoyl)-2-oxidanylidene-1H-quinolin-3-yl]phosphonic acid

Systemtic Name: [7-chloranyl-6-(2-dimethylaminoethylsulfamoyl)-2-oxidanylidene-1H-quinolin-3-yl]phosphonic acid Openeye Name: [7-chloro-6-(2-dimethylaminoethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid CAS Name: [7-chloro-6-(2-dimethylaminoethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid IUPAC Name: [7-chloro-6-(2-dimethylaminoethylsulfamoyl)-2-oxo-1H-quinolin-3-yl]phosphonic acid Traditional Name: [7-chloro-6-(2-dimethylaminoethylsulfamoyl)-2-keto-1H-quinolin-3-yl]phosphonic acid Formula: C13H17ClN3O6PS MolecularWeight: 409.782341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=C(C=C2C(=C1)C=C(C(=O)N2)P(=O)(O)O)Cl

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=C(C=C2C(=C1)C=C(C(=O)N2)P(=O)(O)O)Cl

InChI

InChI=1S/C13H17ClN3O6PS/c1-17(2)4-3-15-25(22,23)12-6-8-5-11(24(19,20)21)13(18)16-10(8)7-9(12)14/h5-7,15H,3-4H2,1-2H3,(H,16,18)(H2,19,20,21)