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

Systemtic Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide Openeye Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenyl-quinoline-4-carboxamide CAS Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenyl-4-quinolinecarboxamide IUPAC Name: 3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-methyl-2-phenyl-cinchoninamide Formula: C25H19N3O3S2 MolecularWeight: 473.56666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C25H19N3O3S2/c1-15-22(18-10-6-7-11-19(18)26-23(15)16-8-4-3-5-9-16)24(29)28-25-27-20-13-12-17(33(2,30)31)14-21(20)32-25/h3-14H,1-2H3,(H,27,28,29)