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

Systemtic Name: N-(3-methylsulfanylphenyl)-4-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-1H-quinoline-6-sulfonamide Openeye Name: N-(3-methylsulfanylphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide CAS Name: N-[3-(methylthio)phenyl]-4-oxo-3-[oxo(1-pyrrolidinyl)methyl]-1H-quinoline-6-sulfonamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide Traditional Name: 4-keto-N-[3-(methylthio)phenyl]-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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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)N4CCCC4

Isomeric SMILES

CSC1=CC=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O4S2/c1-29-15-6-4-5-14(11-15)23-30(27,28)16-7-8-19-17(12-16)20(25)18(13-22-19)21(26)24-9-2-3-10-24/h4-8,11-13,23H,2-3,9-10H2,1H3,(H,22,25)