6-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-1H-cinnoline-3-carboxylic acid

Systemtic Name: 6-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-1H-cinnoline-3-carboxylic acid Openeye Name: 4-oxo-6-(p-tolylsulfonylamino)-1H-cinnoline-3-carboxylic acid CAS Name: 6-[(4-methylphenyl)sulfonylamino]-4-oxo-1H-cinnoline-3-carboxylic acid IUPAC Name: 6-[(4-methylphenyl)sulfonylamino]-4-oxo-1H-cinnoline-3-carboxylic acid Traditional Name: 4-keto-6-(tosylamino)-1H-cinnoline-3-carboxylic acid Formula: C16H13N3O5S MolecularWeight: 359.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)NN=C(C3=O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)NN=C(C3=O)C(=O)O

InChI

InChI=1S/C16H13N3O5S/c1-9-2-5-11(6-3-9)25(23,24)19-10-4-7-13-12(8-10)15(20)14(16(21)22)18-17-13/h2-8,19H,1H3,(H,17,20)(H,21,22)