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

Systemtic Name: 2-cyclopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-cyclopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-cyclopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-cyclopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-cyclopropyl-N-(6-mesyl-1,3-benzothiazol-2-yl)cinchoninamide Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C21H17N3O3S2/c1-29(26,27)13-8-9-17-19(10-13)28-21(23-17)24-20(25)15-11-18(12-6-7-12)22-16-5-3-2-4-14(15)16/h2-5,8-12H,6-7H2,1H3,(H,23,24,25)