2-(1,3-benzodioxol-5-yl)-2-(5-ethyl-3-methyl-6-oxidanylidene-pyridazin-1-yl)-N-(4-propan-2-ylphenyl)sulfonyl-ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-(5-ethyl-3-methyl-6-oxidanylidene-pyridazin-1-yl)-N-(4-propan-2-ylphenyl)sulfonyl-ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-(5-ethyl-3-methyl-6-oxo-pyridazin-1-yl)-N-(4-isopropylphenyl)sulfonyl-acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-2-(5-ethyl-3-methyl-6-oxo-1-pyridazinyl)-N-(4-propan-2-ylphenyl)sulfonylacetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-(5-ethyl-3-methyl-6-oxopyridazin-1-yl)-N-(4-propan-2-ylphenyl)sulfonylacetamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-(5-ethyl-6-keto-3-methyl-pyridazin-1-yl)-N-p-cumenylsulfonyl-acetamide Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN(C1=O)C(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C)C

Isomeric SMILES

CCC1=CC(=NN(C1=O)C(C2=CC3=C(C=C2)OCO3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C(C)C)C

InChI

InChI=1S/C25H27N3O6S/c1-5-17-12-16(4)26-28(25(17)30)23(19-8-11-21-22(13-19)34-14-33-21)24(29)27-35(31,32)20-9-6-18(7-10-20)15(2)3/h6-13,15,23H,5,14H2,1-4H3,(H,27,29)