N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromanyl-2-tert-butyl-phenoxy)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromanyl-2-tert-butyl-phenoxy)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-2-tert-butyl-phenoxy)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-bromo-2-tert-butylphenoxy)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-2-tert-butylphenoxy)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-2-tert-butyl-phenoxy)acetamide Formula: C24H31BrN2O4S MolecularWeight: 523.48294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H31BrN2O4S/c1-24(2,3)21-16-18(25)8-13-22(21)31-17-23(28)26-19-9-11-20(12-10-19)32(29,30)27-14-6-4-5-7-15-27/h8-13,16H,4-7,14-15,17H2,1-3H3,(H,26,28)