N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-methyl-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-diketo-2-methyl-isoindoline-5-carboxamide 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)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

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