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

Systemtic Name: 2-(4-ethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(4-ethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(4-ethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(4-ethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-ethylphenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)cinchoninamide Formula: C26H21N3O3S2 MolecularWeight: 487.59324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C26H21N3O3S2/c1-3-16-8-10-17(11-9-16)23-15-20(19-6-4-5-7-21(19)27-23)25(30)29-26-28-22-13-12-18(34(2,31)32)14-24(22)33-26/h4-15H,3H2,1-2H3,(H,28,29,30)