N-(1,3-benzodioxol-5-ylmethyl)-N-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[(2-keto-7,8-dimethyl-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:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F)C

InChI

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