2-(3-bromanyl-1-adamantyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3-bromo-1-adamantyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(3-bromo-1-adamantyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3-bromo-1-adamantyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(3-bromo-1-adamantyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)acetamide Formula: C20H23BrN2O3S2 MolecularWeight: 483.44222

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C20H23BrN2O3S2/c1-28(25,26)14-2-3-15-16(5-14)27-18(22-15)23-17(24)10-19-6-12-4-13(7-19)9-20(21,8-12)11-19/h2-3,5,12-13H,4,6-11H2,1H3,(H,22,23,24)