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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-methoxyphenyl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-methoxyphenyl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(2-methoxyphenyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2-methoxyphenyl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-methoxyphenyl)acetamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=CC=CC=C2OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=CC=CC=C2OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-17-11-12-19(23-22(25)15-18-9-5-6-10-20(18)28-2)16-21(17)29(26,27)24-13-7-3-4-8-14-24/h5-6,9-12,16H,3-4,7-8,13-15H2,1-2H3,(H,23,25)