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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]-N-piperonyl-3-(trifluoromethyl)benzenesulfonamide Formula: C26H21F3N2O5S MolecularWeight: 530.51555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=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

Isomeric SMILES

CC1=CC2=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

InChI

InChI=1S/C26H21F3N2O5S/c1-16-5-7-18-11-19(25(32)30-22(18)9-16)14-31(13-17-6-8-23-24(10-17)36-15-35-23)37(33,34)21-4-2-3-20(12-21)26(27,28)29/h2-12H,13-15H2,1H3,(H,30,32)