4-[[2-(cyclopropylmethoxy)-5-methylsulfonyl-phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid

Systemtic Name: 4-[[2-(cyclopropylmethoxy)-5-methylsulfonyl-phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid Openeye Name: 4-[[2-(cyclopropylmethoxy)-5-methylsulfonyl-phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid CAS Name: 4-[[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]methyl-ethylamino]-3-pyridazinecarboxylic acid IUPAC Name: 4-[[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]methyl-ethylamino]pyridazine-3-carboxylic acid Traditional Name: 4-[[2-(cyclopropylmethoxy)-5-mesyl-benzyl]-ethyl-amino]pyridazine-3-carboxylic acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)S(=O)(=O)C)OCC2CC2)C3=C(N=NC=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)S(=O)(=O)C)OCC2CC2)C3=C(N=NC=C3)C(=O)O

InChI

InChI=1S/C19H23N3O5S/c1-3-22(16-8-9-20-21-18(16)19(23)24)11-14-10-15(28(2,25)26)6-7-17(14)27-12-13-4-5-13/h6-10,13H,3-5,11-12H2,1-2H3,(H,23,24)