(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C21H22N2O8S/c24-21(15-5-4-6-19(11-15)32(27,28)22-7-2-1-3-8-22)30-13-17-10-18(23(25)26)9-16-12-29-14-31-20(16)17/h4-6,9-11H,1-3,7-8,12-14H2