N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-N-piperonyl-2-(trifluoromethyl)benzenesulfonamide Formula: C26H21F3N2O6S MolecularWeight: 546.51495

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C26H21F3N2O6S/c1-35-19-8-7-17-11-18(25(32)30-21(17)12-19)14-31(13-16-6-9-22-23(10-16)37-15-36-22)38(33,34)24-5-3-2-4-20(24)26(27,28)29/h2-12H,13-15H2,1H3,(H,30,32)