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

Systemtic Name: 6-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl-ethyl-amino]-N-(phenylsulfonyl)pyridazine-3-carboxamide Openeye Name: N-(benzenesulfonyl)-6-[[5-bromo-2-(2-methylallyloxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxamide CAS Name: N-(benzenesulfonyl)-6-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]-3-pyridazinecarboxamide IUPAC Name: N-(benzenesulfonyl)-6-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]pyridazine-3-carboxamide Traditional Name: N-besyl-6-[[5-bromo-2-(2-methylallyloxy)benzyl]-ethyl-amino]pyridazine-3-carboxamide Formula: C24H25BrN4O4S MolecularWeight: 545.4487

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC(=C)C)C2=NN=C(C=C2)C(=O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC(=C)C)C2=NN=C(C=C2)C(=O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H25BrN4O4S/c1-4-29(15-18-14-19(25)10-12-22(18)33-16-17(2)3)23-13-11-21(26-27-23)24(30)28-34(31,32)20-8-6-5-7-9-20/h5-14H,2,4,15-16H2,1,3H3,(H,28,30)