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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O5S/c27-21(13-16-26-22(28)19-7-3-4-8-20(19)23(26)29)24-17-9-11-18(12-10-17)32(30,31)25-14-5-1-2-6-15-25/h3-4,7-12H,1-2,5-6,13-16H2,(H,24,27)