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

Systemtic Name: 2-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[2-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[2-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[2-(1,3-benzothiazol-2-yl)piperidino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c26-20-13-6-5-9-15(25(28)29)18(13)21(27)24(20)12-23-11-4-3-8-16(23)19-22-14-7-1-2-10-17(14)30-19/h1-2,5-7,9-10,16H,3-4,8,11-12H2