2-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)cinchoninamide Formula: C25H17N3O5S2 MolecularWeight: 503.54958

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H17N3O5S2/c1-35(30,31)15-7-8-19-23(11-15)34-25(27-19)28-24(29)17-12-20(26-18-5-3-2-4-16(17)18)14-6-9-21-22(10-14)33-13-32-21/h2-12H,13H2,1H3,(H,27,28,29)