N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-N-piperonyl-3-(trifluoromethyl)benzenesulfonamide Formula: C27H23F3N2O5S MolecularWeight: 544.54213

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C27H23F3N2O5S/c1-2-17-6-8-23-19(10-17)12-20(26(33)31-23)15-32(14-18-7-9-24-25(11-18)37-16-36-24)38(34,35)22-5-3-4-21(13-22)27(28,29)30/h3-13H,2,14-16H2,1H3,(H,31,33)