6-(3,3-dimethyl-1-methylsulfonyl-2H-indol-5-yl)-2-(4-oxidanylideneoctyl)pyridazin-3-one

Systemtic Name: 6-(3,3-dimethyl-1-methylsulfonyl-2H-indol-5-yl)-2-(4-oxidanylideneoctyl)pyridazin-3-one Openeye Name: 6-(3,3-dimethyl-1-methylsulfonyl-indolin-5-yl)-2-(4-oxooctyl)pyridazin-3-one CAS Name: 6-(3,3-dimethyl-1-methylsulfonyl-2H-indol-5-yl)-2-(4-oxooctyl)-3-pyridazinone IUPAC Name: 6-(3,3-dimethyl-1-methylsulfonyl-2H-indol-5-yl)-2-(4-oxooctyl)pyridazin-3-one Traditional Name: 2-(4-ketooctyl)-6-(1-mesyl-3,3-dimethyl-indolin-5-yl)pyridazin-3-one Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CCCN1C(=O)C=CC(=N1)C2=CC3=C(C=C2)N(CC3(C)C)S(=O)(=O)C

Isomeric SMILES

CCCCC(=O)CCCN1C(=O)C=CC(=N1)C2=CC3=C(C=C2)N(CC3(C)C)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O4S/c1-5-6-8-18(27)9-7-14-25-22(28)13-11-20(24-25)17-10-12-21-19(15-17)23(2,3)16-26(21)31(4,29)30/h10-13,15H,5-9,14,16H2,1-4H3