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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

InChI

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