2-bromanyl-3,4,5-trimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 2-bromanyl-3,4,5-trimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-bromo-3,4,5-trimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-bromo-3,4,5-trimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-bromo-3,4,5-trimethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-bromo-N-(6-mesyl-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-benzamide Formula: C18H17BrN2O6S2 MolecularWeight: 501.37138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O6S2/c1-25-12-8-10(14(19)16(27-3)15(12)26-2)17(22)21-18-20-11-6-5-9(29(4,23)24)7-13(11)28-18/h5-8H,1-4H3,(H,20,21,22)