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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)cinchoninamide Formula: C26H21N3O5S2 MolecularWeight: 519.59204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C)OC

InChI

InChI=1S/C26H21N3O5S2/c1-33-22-11-8-15(12-23(22)34-2)21-14-18(17-6-4-5-7-19(17)27-21)25(30)29-26-28-20-10-9-16(36(3,31)32)13-24(20)35-26/h4-14H,1-3H3,(H,28,29,30)