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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylene-3-oxo-isoindolin-2-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(1-methylene-3-oxo-2-isoindolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-keto-3-methylene-isoindolin-2-yl)acetamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O4S/c1-17-20-11-4-5-12-21(20)23(28)26(17)16-22(27)24-18-9-8-10-19(15-18)31(29,30)25-13-6-2-3-7-14-25/h4-5,8-12,15H,1-3,6-7,13-14,16H2,(H,24,27)