6-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide

Systemtic Name: 6-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide Openeye Name: 6-[[5-bromo-2-(2-methylallyloxy)phenyl]methyl-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide CAS Name: 6-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]-4-propylsulfonyl-3-pyridazinecarboxamide IUPAC Name: 6-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]-4-propylsulfonylpyridazine-3-carboxamide Traditional Name: 6-[[5-bromo-2-(2-methylallyloxy)benzyl]-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide Formula: C21H27BrN4O4S MolecularWeight: 511.43248

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC(=NN=C1C(=O)N)N(CC)CC2=C(C=CC(=C2)Br)OCC(=C)C

Isomeric SMILES

CCCS(=O)(=O)C1=CC(=NN=C1C(=O)N)N(CC)CC2=C(C=CC(=C2)Br)OCC(=C)C

InChI

InChI=1S/C21H27BrN4O4S/c1-5-9-31(28,29)18-11-19(24-25-20(18)21(23)27)26(6-2)12-15-10-16(22)7-8-17(15)30-13-14(3)4/h7-8,10-11H,3,5-6,9,12-13H2,1-2,4H3,(H2,23,27)