3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C19H19BrN2O5S2 MolecularWeight: 499.39856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)Br)OC

InChI

InChI=1S/C19H19BrN2O5S2/c1-26-15-8-11(13(20)10-16(15)27-2)4-7-18(23)22-19-21-14-6-5-12(29(3,24)25)9-17(14)28-19/h5-6,8-10H,4,7H2,1-3H3,(H,21,22,23)