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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(3-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-2-(3-propoxyphenyl)cinchoninamide Formula: C27H23N3O4S2 MolecularWeight: 517.61922

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C27H23N3O4S2/c1-3-13-34-18-8-6-7-17(14-18)24-16-21(20-9-4-5-10-22(20)28-24)26(31)30-27-29-23-12-11-19(36(2,32)33)15-25(23)35-27/h4-12,14-16H,3,13H2,1-2H3,(H,29,30,31)