N-[2-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[6-oxo-3-(2-thienyl)pyridazin-1-yl]ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[6-keto-3-(2-thienyl)pyridazin-1-yl]ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCN3C(=O)C=CC(=N3)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCN3C(=O)C=CC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H22N4O4S2/c26-20-10-9-18(19-4-3-15-30-19)23-25(20)14-11-22-21(27)16-5-7-17(8-6-16)31(28,29)24-12-1-2-13-24/h3-10,15H,1-2,11-14H2,(H,22,27)