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

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25N3O6S/c1-16-19(7-6-8-20(16)24(26)27)22-21(25)15-30-17-9-11-18(12-10-17)31(28,29)23-13-4-2-3-5-14-23/h6-12H,2-5,13-15H2,1H3,(H,22,25)