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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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