N-[4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylamino]butyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylamino]butyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-[3-(1,3-dioxoisoindolin-2-yl)propylamino]butyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-[3-(1,3-dioxo-2-isoindolyl)propylamino]butyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-[3-(1,3-dioxoisoindol-2-yl)propylamino]butyl]-2-nitrobenzenesulfonamide Traditional Name: 2-nitro-N-[4-(3-phthalimidopropylamino)butyl]benzenesulfonamide Formula: C21H24N4O6S MolecularWeight: 460.50346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCNCCCCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCNCCCCNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O6S/c26-20-16-8-1-2-9-17(16)21(27)24(20)15-7-13-22-12-5-6-14-23-32(30,31)19-11-4-3-10-18(19)25(28)29/h1-4,8-11,22-23H,5-7,12-15H2