N-[3-(azepan-1-ylsulfonyl)phenyl]-4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(5-methyl-1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(1,3-diketo-5-methyl-isoindolin-2-yl)butyramide Formula: C25H29N3O5S MolecularWeight: 483.57986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O5S/c1-18-11-12-21-22(16-18)25(31)28(24(21)30)15-7-10-23(29)26-19-8-6-9-20(17-19)34(32,33)27-13-4-2-3-5-14-27/h6,8-9,11-12,16-17H,2-5,7,10,13-15H2,1H3,(H,26,29)