2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c27-18(12-25-21(28)14-4-3-6-16(26(30)31)19(14)22(25)29)24-10-8-13(9-11-24)20-23-15-5-1-2-7-17(15)32-20/h1-7,13H,8-12H2