2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)butylthio]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)butylsulfanyl]-N,N-diethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: N,N-diethyl-2-(4-phthalimidobutylthio)-1,3-benzoxazole-5-sulfonamide Formula: C23H25N3O5S2 MolecularWeight: 487.5917

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O5S2/c1-3-25(4-2)33(29,30)16-11-12-20-19(15-16)24-23(31-20)32-14-8-7-13-26-21(27)17-9-5-6-10-18(17)22(26)28/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3