N-(4-acetamidophenyl)-3-[2-methyl-5-(6-oxidanylidene-1H-pyridazin-3-yl)phenyl]sulfonyl-propanamide

Systemtic Name: N-(4-acetamidophenyl)-3-[2-methyl-5-(6-oxidanylidene-1H-pyridazin-3-yl)phenyl]sulfonyl-propanamide Openeye Name: N-(4-acetamidophenyl)-3-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonyl-propanamide CAS Name: N-(4-acetamidophenyl)-3-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide IUPAC Name: N-(4-acetamidophenyl)-3-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]sulfonylpropanamide Traditional Name: N-(4-acetamidophenyl)-3-[5-(6-keto-1H-pyridazin-3-yl)-2-methyl-phenyl]sulfonyl-propionamide Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C=C2)S(=O)(=O)CCC(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C=C2)S(=O)(=O)CCC(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H22N4O5S/c1-14-3-4-16(19-9-10-22(29)26-25-19)13-20(14)32(30,31)12-11-21(28)24-18-7-5-17(6-8-18)23-15(2)27/h3-10,13H,11-12H2,1-2H3,(H,23,27)(H,24,28)(H,26,29)