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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propan-2-yl-quinoline-4-carboxamide Openeye Name: 2-isopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propan-2-yl-4-quinolinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-propan-2-ylquinoline-4-carboxamide Traditional Name: 2-isopropyl-N-(6-mesyl-1,3-benzothiazol-2-yl)cinchoninamide Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H19N3O3S2/c1-12(2)18-11-15(14-6-4-5-7-16(14)22-18)20(25)24-21-23-17-9-8-13(29(3,26)27)10-19(17)28-21/h4-12H,1-3H3,(H,23,24,25)