3-chloranylpyridin-2-amine; 3-[(3-chloranylpyridin-4-yl)sulfamoyl]benzoic acid

Systemtic Name: 3-chloranylpyridin-2-amine; 3-[(3-chloranylpyridin-4-yl)sulfamoyl]benzoic acid Openeye Name: 3-chloropyridin-2-amine; 3-[(3-chloro-4-pyridyl)sulfamoyl]benzoic acid CAS Name: 3-chloro-2-pyridinamine; 3-[(3-chloro-4-pyridinyl)sulfamoyl]benzoic acid IUPAC Name: 3-chloropyridin-2-amine; 3-[(3-chloropyridin-4-yl)sulfamoyl]benzoic acid Traditional Name: (3-chloro-2-pyridyl)amine; 3-[(3-chloro-4-pyridyl)sulfamoyl]benzoic acid Formula: C17H14Cl2N4O4S MolecularWeight: 441.28846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=C(C=NC=C2)Cl)C(=O)O.C1=CC(=C(N=C1)N)Cl

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=C(C=NC=C2)Cl)C(=O)O.C1=CC(=C(N=C1)N)Cl

InChI

InChI=1S/C12H9ClN2O4S.C5H5ClN2/c13-10-7-14-5-4-11(10)15-20(18,19)9-3-1-2-8(6-9)12(16)17;6-4-2-1-3-8-5(4)7/h1-7H,(H,14,15)(H,16,17);1-3H,(H2,7,8)