4-oxidanylidene-6-[2-(4-sulfamoylphenyl)ethylsulfamoyl]-1H-quinoline-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-6-[2-(4-sulfamoylphenyl)ethylsulfamoyl]-1H-quinoline-3-carboxylic acid Openeye Name: 4-oxo-6-[2-(4-sulfamoylphenyl)ethylsulfamoyl]-1H-quinoline-3-carboxylic acid CAS Name: 4-oxo-6-[2-(4-sulfamoylphenyl)ethylsulfamoyl]-1H-quinoline-3-carboxylic acid IUPAC Name: 4-oxo-6-[2-(4-sulfamoylphenyl)ethylsulfamoyl]-1H-quinoline-3-carboxylic acid Traditional Name: 4-keto-6-[2-(4-sulfamoylphenyl)ethylsulfamoyl]-1H-quinoline-3-carboxylic acid Formula: C18H17N3O7S2 MolecularWeight: 451.47348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C18H17N3O7S2/c19-29(25,26)12-3-1-11(2-4-12)7-8-21-30(27,28)13-5-6-16-14(9-13)17(22)15(10-20-16)18(23)24/h1-6,9-10,21H,7-8H2,(H,20,22)(H,23,24)(H2,19,25,26)