N-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-4-fluoranyl-N-(3-oxidanylpropyl)benzenesulfonamide

Systemtic Name: N-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-4-fluoranyl-N-(3-oxidanylpropyl)benzenesulfonamide Openeye Name: N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide CAS Name: N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide IUPAC Name: N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide Traditional Name: 4-fluoro-N-(3-hydroxypropyl)-N-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]benzenesulfonamide Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCCO)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCCO)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H23FN2O4S/c1-14-4-5-16-12-17(21(26)23-20(16)15(14)2)13-24(10-3-11-25)29(27,28)19-8-6-18(22)7-9-19/h4-9,12,25H,3,10-11,13H2,1-2H3,(H,23,26)