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

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(3-bromo-4-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C18H17BrN2O4S2 MolecularWeight: 469.37258

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O4S2/c1-25-15-7-3-11(9-13(15)19)4-8-17(22)21-18-20-14-6-5-12(27(2,23)24)10-16(14)26-18/h3,5-7,9-10H,4,8H2,1-2H3,(H,20,21,22)