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

Systemtic Name: 6-[(5-bromanyl-2-propoxy-phenyl)methyl-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide Openeye Name: 6-[(5-bromo-2-propoxy-phenyl)methyl-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide CAS Name: 6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]-4-propylsulfonyl-3-pyridazinecarboxamide IUPAC Name: 6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]-4-propylsulfonylpyridazine-3-carboxamide Traditional Name: 6-[(5-bromo-2-propoxy-benzyl)-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide Formula: C20H27BrN4O4S MolecularWeight: 499.42178

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)CN(CC)C2=NN=C(C(=C2)S(=O)(=O)CCC)C(=O)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)CN(CC)C2=NN=C(C(=C2)S(=O)(=O)CCC)C(=O)N

InChI

InChI=1S/C20H27BrN4O4S/c1-4-9-29-16-8-7-15(21)11-14(16)13-25(6-3)18-12-17(30(27,28)10-5-2)19(20(22)26)24-23-18/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H2,22,26)