N-[3-chloranyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide

Systemtic Name: N-[3-chloranyl-4-[(3-methylsulfonylphenyl)carbonylamino]phenyl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide Openeye Name: N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-6-oxo-1-propyl-pyridazine-3-carboxamide CAS Name: N-[3-chloro-4-[[(3-methylsulfonylphenyl)-oxomethyl]amino]phenyl]-6-oxo-1-propyl-3-pyridazinecarboxamide IUPAC Name: N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-6-oxo-1-propylpyridazine-3-carboxamide Traditional Name: N-[3-chloro-4-[(3-mesylbenzoyl)amino]phenyl]-6-keto-1-propyl-pyridazine-3-carboxamide Formula: C22H21ClN4O5S MolecularWeight: 488.94394

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H21ClN4O5S/c1-3-11-27-20(28)10-9-19(26-27)22(30)24-15-7-8-18(17(23)13-15)25-21(29)14-5-4-6-16(12-14)33(2,31)32/h4-10,12-13H,3,11H2,1-2H3,(H,24,30)(H,25,29)