N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-2,6-dimethyl-phenoxy)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-bromo-2,6-dimethylphenoxy)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-2,6-dimethylphenoxy)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-2,6-dimethyl-phenoxy)acetamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C)Br

InChI

InChI=1S/C22H27BrN2O4S/c1-16-13-18(23)14-17(2)22(16)29-15-21(26)24-19-7-9-20(10-8-19)30(27,28)25-11-5-3-4-6-12-25/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,24,26)