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

Systemtic Name: 3-bromanyl-5-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-propoxy-benzamide Openeye Name: 3-bromo-5-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-propoxy-benzamide CAS Name: 3-bromo-5-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide IUPAC Name: 3-bromo-5-methoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-propoxybenzamide Traditional Name: 3-bromo-N-(6-mesyl-1,3-benzothiazol-2-yl)-5-methoxy-4-propoxy-benzamide Formula: C19H19BrN2O5S2 MolecularWeight: 499.39856

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C)OC

InChI

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