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

Systemtic Name: 6-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-N,N-diethyl-pyridine-3-sulfonamide Openeye Name: 6-[4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl]-N,N-diethyl-pyridine-3-sulfonamide CAS Name: 6-[4-(1,3-dioxo-2-isoindolyl)butylthio]-N,N-diethyl-3-pyridinesulfonamide IUPAC Name: 6-[4-(1,3-dioxoisoindol-2-yl)butylsulfanyl]-N,N-diethylpyridine-3-sulfonamide Traditional Name: N,N-diethyl-6-(4-phthalimidobutylthio)pyridine-3-sulfonamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H25N3O4S2/c1-3-23(4-2)30(27,28)16-11-12-19(22-15-16)29-14-8-7-13-24-20(25)17-9-5-6-10-18(17)21(24)26/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3