[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone

Systemtic Name: [3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone CAS Name: [3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone IUPAC Name: [3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Traditional Name: [3-(1,3-benzothiazol-2-yl)piperidino]-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H19N3O5S/c25-21(14-10-17-18(29-9-8-28-17)11-16(14)24(26)27)23-7-3-4-13(12-23)20-22-15-5-1-2-6-19(15)30-20/h1-2,5-6,10-11,13H,3-4,7-9,12H2