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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-ethoxyphenoxy)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-ethoxyphenoxy)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(2-ethoxyphenoxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2-ethoxyphenoxy)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-ethoxyphenoxy)acetamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H30N2O5S/c1-3-29-20-10-6-7-11-21(20)30-17-23(26)24-19-13-12-18(2)22(16-19)31(27,28)25-14-8-4-5-9-15-25/h6-7,10-13,16H,3-5,8-9,14-15,17H2,1-2H3,(H,24,26)