6-oxidanylidene-1-(phenylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide

Systemtic Name: 6-oxidanylidene-1-(phenylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide Openeye Name: 1-benzyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide CAS Name: 6-oxo-1-(phenylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3-pyridazinecarboxamide IUPAC Name: 1-benzyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide Traditional Name: 1-benzyl-6-keto-N-(4-pyrrolidinosulfonylphenyl)pyridazine-3-carboxamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O4S/c27-21-13-12-20(24-26(21)16-17-6-2-1-3-7-17)22(28)23-18-8-10-19(11-9-18)31(29,30)25-14-4-5-15-25/h1-3,6-13H,4-5,14-16H2,(H,23,28)