N-(2,3-dimethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-oxo-pyridazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[3-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-6-oxo-1-pyridazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[6-keto-3-(4-methyl-3-pyrrolidinosulfonyl-phenyl)pyridazin-1-yl]acetamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C25H28N4O4S/c1-17-7-6-8-21(19(17)3)26-24(30)16-29-25(31)12-11-22(27-29)20-10-9-18(2)23(15-20)34(32,33)28-13-4-5-14-28/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,26,30)