1-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-N,N-diethyl-6-oxidanylidene-pyridine-3-sulfonamide

Systemtic Name: 1-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl]-N,N-diethyl-6-oxidanylidene-pyridine-3-sulfonamide Openeye Name: 1-[4-(1,3-dioxoisoindolin-2-yl)butyl]-N,N-diethyl-6-oxo-pyridine-3-sulfonamide CAS Name: 1-[4-(1,3-dioxo-2-isoindolyl)butyl]-N,N-diethyl-6-oxo-3-pyridinesulfonamide IUPAC Name: 1-[4-(1,3-dioxoisoindol-2-yl)butyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide Traditional Name: N,N-diethyl-6-keto-1-(4-phthalimidobutyl)pyridine-3-sulfonamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN(C(=O)C=C1)CCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN(C(=O)C=C1)CCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H25N3O5S/c1-3-23(4-2)30(28,29)16-11-12-19(25)22(15-16)13-7-8-14-24-20(26)17-9-5-6-10-18(17)21(24)27/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3