2-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-(1-esylindolin-5-yl)-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7S/c1-2-31(29,30)22-9-8-12-10-13(6-7-15(12)22)17(24)11-21-19(25)14-4-3-5-16(23(27)28)18(14)20(21)26/h3-7,10H,2,8-9,11H2,1H3