2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(2-ethanoyl-1H-isoquinolin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H19N3O4S2/c1-13(25)24-10-9-14-5-3-4-6-16(14)18(24)12-20(26)23-21-22-17-8-7-15(30(2,27)28)11-19(17)29-21/h3-11,18H,12H2,1-2H3,(H,22,23,26)