2-[4-bromanyl-2-(hydroxymethyl)phenoxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-bromanyl-2-(hydroxymethyl)phenoxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-bromo-2-methylol-phenoxy)-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C(C=C(C=C3)Br)CO

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC3=C(C=C(C=C3)Br)CO

InChI

InChI=1S/C19H21BrN2O5S/c20-15-6-7-18(14(10-15)12-23)27-13-19(24)21-16-4-3-5-17(11-16)28(25,26)22-8-1-2-9-22/h3-7,10-11,23H,1-2,8-9,12-13H2,(H,21,24)