N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromanyl-3-methyl-phenoxy)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromanyl-3-methyl-phenoxy)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-3-methyl-phenoxy)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-bromo-3-methylphenoxy)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-3-methylphenoxy)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-bromo-3-methyl-phenoxy)acetamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

InChI

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