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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dioxoisoindolin-2-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phthalimido-acetamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23N3O5S/c26-20(15-25-21(27)18-10-3-4-11-19(18)22(25)28)23-16-8-7-9-17(14-16)31(29,30)24-12-5-1-2-6-13-24/h3-4,7-11,14H,1-2,5-6,12-13,15H2,(H,23,26)