N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-fluoranyl-4-methyl-phenyl)sulfonylamino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide Traditional Name: 3-[(3-fluoro-4-methyl-phenyl)sulfonylamino]-N-piperonyl-benzamide Formula: C22H19FN2O5S MolecularWeight: 442.460063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C22H19FN2O5S/c1-14-5-7-18(11-19(14)23)31(27,28)25-17-4-2-3-16(10-17)22(26)24-12-15-6-8-20-21(9-15)30-13-29-20/h2-11,25H,12-13H2,1H3,(H,24,26)