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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-1,3-dioxo-isoindolin-5-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(2-methyl-1,3-dioxo-5-isoindolyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-diketo-2-methyl-isoindolin-5-yl)benzamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H23N3O5S/c1-24-21(27)18-10-9-16(14-19(18)22(24)28)23-20(26)15-7-6-8-17(13-15)31(29,30)25-11-4-2-3-5-12-25/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,26)