N-(3-methylsulfanylphenyl)-3-morpholin-4-ylcarbonyl-4-oxidanylidene-1H-quinoline-6-sulfonamide

Systemtic Name: N-(3-methylsulfanylphenyl)-3-morpholin-4-ylcarbonyl-4-oxidanylidene-1H-quinoline-6-sulfonamide Openeye Name: N-(3-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)-4-oxo-1H-quinoline-6-sulfonamide CAS Name: N-[3-(methylthio)phenyl]-3-[4-morpholinyl(oxo)methyl]-4-oxo-1H-quinoline-6-sulfonamide IUPAC Name: N-(3-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)-4-oxo-1H-quinoline-6-sulfonamide Traditional Name: 4-keto-N-[3-(methylthio)phenyl]-3-(morpholine-4-carbonyl)-1H-quinoline-6-sulfonamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCOCC4

Isomeric SMILES

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCOCC4

InChI

InChI=1S/C21H21N3O5S2/c1-30-15-4-2-3-14(11-15)23-31(27,28)16-5-6-19-17(12-16)20(25)18(13-22-19)21(26)24-7-9-29-10-8-24/h2-6,11-13,23H,7-10H2,1H3,(H,22,25)