N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(1,3-dioxoisoindolin-2-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-phthalimido-acetamide Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O5S/c1-16-10-11-17(14-20(16)32(30,31)25-12-6-2-3-7-13-25)24-21(27)15-26-22(28)18-8-4-5-9-19(18)23(26)29/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,27)