N-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-6-(1-pyrrolidinylsulfonyl)-1H-quinoline-4-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-6-pyrrolidin-1-ylsulfonyl-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-piperonyl-6-pyrrolidinosulfonyl-1H-quinoline-4-carboxamide Formula: C22H21N3O6S MolecularWeight: 455.48364

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)C=C3C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N3O6S/c26-21-11-17(22(27)23-12-14-3-6-19-20(9-14)31-13-30-19)16-10-15(4-5-18(16)24-21)32(28,29)25-7-1-2-8-25/h3-6,9-11H,1-2,7-8,12-13H2,(H,23,27)(H,24,26)