N-(3,5-dimethylphenyl)-4-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-1H-quinoline-6-sulfonamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-oxidanylidene-3-pyrrolidin-1-ylcarbonyl-1H-quinoline-6-sulfonamide Openeye Name: N-(3,5-dimethylphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide CAS Name: N-(3,5-dimethylphenyl)-4-oxo-3-[oxo(1-pyrrolidinyl)methyl]-1H-quinoline-6-sulfonamide IUPAC Name: N-(3,5-dimethylphenyl)-4-oxo-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide Traditional Name: N-(3,5-dimethylphenyl)-4-keto-3-(pyrrolidine-1-carbonyl)-1H-quinoline-6-sulfonamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCCC4)C

InChI

InChI=1S/C22H23N3O4S/c1-14-9-15(2)11-16(10-14)24-30(28,29)17-5-6-20-18(12-17)21(26)19(13-23-20)22(27)25-7-3-4-8-25/h5-6,9-13,24H,3-4,7-8H2,1-2H3,(H,23,26)