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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-methanoylphenoxy)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-formylphenoxy)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(2-formylphenoxy)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2-formylphenoxy)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-formylphenoxy)acetamide Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2C=O)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC2=CC=CC=C2C=O)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H26N2O5S/c1-17-10-11-19(14-21(17)30(27,28)24-12-6-2-3-7-13-24)23-22(26)16-29-20-9-5-4-8-18(20)15-25/h4-5,8-11,14-15H,2-3,6-7,12-13,16H2,1H3,(H,23,26)