N-(2-cyanoethyl)-N-methyl-3-morpholin-4-ylcarbonyl-4-oxidanylidene-1H-quinoline-6-sulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-3-morpholin-4-ylcarbonyl-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: N-(2-cyanoethyl)-N-methyl-3-(morpholine-4-carbonyl)-4-oxo-1H-quinoline-6-sulfonamide CAS Name: N-(2-cyanoethyl)-N-methyl-3-[4-morpholinyl(oxo)methyl]-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-3-(morpholine-4-carbonyl)-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: N-(2-cyanoethyl)-4-keto-N-methyl-3-(morpholine-4-carbonyl)-1H-quinoline-6-sulfonamide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)S(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)N3CCOCC3

Isomeric SMILES

CN(CCC#N)S(=O)(=O)C1=CC2=C(C=C1)NC=C(C2=O)C(=O)N3CCOCC3

InChI

InChI=1S/C18H20N4O5S/c1-21(6-2-5-19)28(25,26)13-3-4-16-14(11-13)17(23)15(12-20-16)18(24)22-7-9-27-10-8-22/h3-4,11-12H,2,6-10H2,1H3,(H,20,23)