2-[[5-bromanyl-2-(2-methylpropoxy)phenyl]methyl]-5-(ethylamino)-4-propylsulfonyl-1H-pyridazine-6-carboxamide

Systemtic Name: 2-[[5-bromanyl-2-(2-methylpropoxy)phenyl]methyl]-5-(ethylamino)-4-propylsulfonyl-1H-pyridazine-6-carboxamide Openeye Name: 2-[(5-bromo-2-isobutoxy-phenyl)methyl]-5-(ethylamino)-4-propylsulfonyl-1H-pyridazine-6-carboxamide CAS Name: 2-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-5-(ethylamino)-4-propylsulfonyl-1H-pyridazine-6-carboxamide IUPAC Name: 2-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-5-(ethylamino)-4-propylsulfonyl-1H-pyridazine-6-carboxamide Traditional Name: 2-(5-bromo-2-isobutoxy-benzyl)-5-(ethylamino)-4-propylsulfonyl-1H-pyridazine-6-carboxamide Formula: C21H31BrN4O4S MolecularWeight: 515.46424

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CN(NC(=C1NCC)C(=O)N)CC2=C(C=CC(=C2)Br)OCC(C)C

Isomeric SMILES

CCCS(=O)(=O)C1=CN(NC(=C1NCC)C(=O)N)CC2=C(C=CC(=C2)Br)OCC(C)C

InChI

InChI=1S/C21H31BrN4O4S/c1-5-9-31(28,29)18-12-26(25-20(21(23)27)19(18)24-6-2)11-15-10-16(22)7-8-17(15)30-13-14(3)4/h7-8,10,12,14,24-25H,5-6,9,11,13H2,1-4H3,(H2,23,27)