N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide Openeye Name: 1-benzyl-N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-6-oxo-pyridazine-3-carboxamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-6-oxo-1-(phenylmethyl)-3-pyridazinecarboxamide IUPAC Name: 1-benzyl-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazine-3-carboxamide Traditional Name: 1-benzyl-N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-6-keto-pyridazine-3-carboxamide Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O4S/c23-18-9-8-17(14-20(18)32(30,31)26-12-4-5-13-26)24-22(29)19-10-11-21(28)27(25-19)15-16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13,15H2,(H,24,29)