6-[(5-bromanyl-2-cyclohex-2-en-1-yloxy-phenyl)methyl-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide

Systemtic Name: 6-[(5-bromanyl-2-cyclohex-2-en-1-yloxy-phenyl)methyl-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide Openeye Name: 6-[(5-bromo-2-cyclohex-2-en-1-yloxy-phenyl)methyl-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide CAS Name: 6-[[5-bromo-2-(1-cyclohex-2-enyloxy)phenyl]methyl-ethylamino]-4-propylsulfonyl-3-pyridazinecarboxamide IUPAC Name: 6-[(5-bromo-2-cyclohex-2-en-1-yloxyphenyl)methyl-ethylamino]-4-propylsulfonylpyridazine-3-carboxamide Traditional Name: 6-[(5-bromo-2-cyclohex-2-en-1-yloxy-benzyl)-ethyl-amino]-4-propylsulfonyl-pyridazine-3-carboxamide Formula: C23H29BrN4O4S MolecularWeight: 537.46976

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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)OC3CCCC=C3

Isomeric SMILES

CCCS(=O)(=O)C1=CC(=NN=C1C(=O)N)N(CC)CC2=C(C=CC(=C2)Br)OC3CCCC=C3

InChI

InChI=1S/C23H29BrN4O4S/c1-3-12-33(30,31)20-14-21(26-27-22(20)23(25)29)28(4-2)15-16-13-17(24)10-11-19(16)32-18-8-6-5-7-9-18/h6,8,10-11,13-14,18H,3-5,7,9,12,15H2,1-2H3,(H2,25,29)