2-[[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]carbamoyl]benzoic acid CAS Name: 2-[[3-(6-ethylsulfonyl-3-pyridazinyl)anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-(6-esylpyridazin-3-yl)phenyl]carbamoyl]benzoic acid Formula: C20H17N3O5S MolecularWeight: 411.43108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=NN=C(C=C1)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H17N3O5S/c1-2-29(27,28)18-11-10-17(22-23-18)13-6-5-7-14(12-13)21-19(24)15-8-3-4-9-16(15)20(25)26/h3-12H,2H2,1H3,(H,21,24)(H,25,26)