2-oxidanylidene-N-(pyridin-3-ylmethyl)-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide

Systemtic Name: 2-oxidanylidene-N-(pyridin-3-ylmethyl)-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Openeye Name: 2-oxo-N-(3-pyridylmethyl)-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide CAS Name: 2-oxo-N-(3-pyridinylmethyl)-6-(1-pyrrolidinylsulfonyl)-1H-quinoline-4-carboxamide IUPAC Name: 2-oxo-N-(pyridin-3-ylmethyl)-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-(3-pyridylmethyl)-6-pyrrolidinosulfonyl-1H-quinoline-4-carboxamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C20H20N4O4S/c25-19-11-17(20(26)22-13-14-4-3-7-21-12-14)16-10-15(5-6-18(16)23-19)29(27,28)24-8-1-2-9-24/h3-7,10-12H,1-2,8-9,13H2,(H,22,26)(H,23,25)