N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[methyl(p-tolylsulfonyl)amino]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[methyl(tosyl)amino]acetamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S2/c1-18-10-12-20(13-11-18)31(27,28)24(2)17-22(26)23-19-8-7-9-21(16-19)32(29,30)25-14-5-3-4-6-15-25/h7-13,16H,3-6,14-15,17H2,1-2H3,(H,23,26)