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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)cinchoninamide Formula: C27H23N3O6S2 MolecularWeight: 549.61802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C27H23N3O6S2/c1-34-22-11-15(12-23(35-2)25(22)36-3)21-14-18(17-7-5-6-8-19(17)28-21)26(31)30-27-29-20-10-9-16(38(4,32)33)13-24(20)37-27/h5-14H,1-4H3,(H,29,30,31)