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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-oxidanylidene-1H-isoindol-2-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-oxoisoindolin-2-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1-ketoisoindolin-2-yl)acetamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H25N3O4S/c26-21(16-24-15-17-7-3-4-8-20(17)22(24)27)23-18-9-11-19(12-10-18)30(28,29)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-16H2,(H,23,26)