2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(4-bromanyl-2,6-dimethyl-phenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-[4-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-bromo-2,6-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-bromo-2,6-dimethyl-phenoxy)-N-(4-piperidinosulfonylphenyl)acetamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-15-12-17(22)13-16(2)21(15)28-14-20(25)23-18-6-8-19(9-7-18)29(26,27)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3,(H,23,25)