N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,5-dimethylphenoxy)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,5-dimethylphenoxy)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,5-dimethylphenoxy)acetamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-17-7-8-18(2)21(15-17)28-16-22(25)23-19-9-11-20(12-10-19)29(26,27)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,25)